data_exp_320
_audit_creation_date               2021-01-18
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number       '2016/6'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C15 H21 Cr O6'
_chemical_formula_sum              'C15 H21 Cr O6'
_chemical_formula_weight           349.32
_chemical_melting_point            ?
_chemical_oxdiff_formula           'Cr C15 O6 H21'
_chemical_oxdiff_usercomment       'rxt from cyclohexane'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     14.0157(12)
_cell_length_b                     7.5461(7)
_cell_length_c                     16.3901(12)
_cell_angle_alpha                  90
_cell_angle_beta                   98.882(8)
_cell_angle_gamma                  90
_cell_volume                       1712.7(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      5969
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        22.0090
_cell_measurement_theta_min        2.4520
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.691
_exptl_absorpt_correction_T_max    0.991
_exptl_absorpt_correction_T_min    0.925
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.55a (Rigaku Oxford Diffraction, 2019)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear dark violet'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     dark
_exptl_crystal_colour_primary      violet
_exptl_crystal_density_diffrn      1.355
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               732
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 0 1 0 0.2883
 0 -1 0 0.2172
 -1 0 2 0.0433
 1 0 -2 0.0322
 1 0 0 0.0292
 -1 0 0 0.0292

_exptl_crystal_size_max            0.506
_exptl_crystal_size_mid            0.108
_exptl_crystal_size_min            0.058
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 0.0007 1.0018 -0.0010 -0.0680 -0.0575 -0.0301
 -0.0007 -1.0018 0.0010 0.0680 0.0575 0.0301
 -1.0024 -0.0001 2.0037 -0.0084 -0.0355 0.0870
 1.0024 0.0001 -2.0037 0.0084 0.0355 -0.0870
 1.0021 0.0003 -0.0008 -0.0304 0.0403 -0.0086
 -1.0021 -0.0003 0.0008 0.0304 -0.0403 0.0086

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0791
_diffrn_reflns_av_unetI/netI       0.0380
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         17
_diffrn_reflns_limit_h_min         -17
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -9
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              48212
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  1.000
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.101
_diffrn_reflns_theta_min           2.516
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00 -52.61  368
  2  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00  28.22  368
  3  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00  28.22  368
  4  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00-120.00  368
  5  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00-120.00  368
  6  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00 -30.00  368
  7  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00  37.45  368
  8  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00 166.08  368
  9  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00-154.20  368
 10  ω    -74.00 110.00   0.50   60.00    --   20.00  54.00  84.88  368
 11  ω    -74.00   4.50   0.50   60.00    --   20.00  54.00 -80.66  157
;
_diffrn_measurement_device         'two-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Mini II'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0303289000
_diffrn_orient_matrix_UB_12        -0.0678480000
_diffrn_orient_matrix_UB_13        -0.0193576000
_diffrn_orient_matrix_UB_21        0.0402698000
_diffrn_orient_matrix_UB_22        -0.0574548000
_diffrn_orient_matrix_UB_23        0.0024203000
_diffrn_orient_matrix_UB_31        -0.0085876000
_diffrn_orient_matrix_UB_32        -0.0299614000
_diffrn_orient_matrix_UB_33        0.0391396000
_diffrn_oxdiff_digest_frames
;
0197244a4e4df20f9713910b9043d78ded038376a6a
;
_diffrn_oxdiff_digest_hkl
;
015bd70426f4b04bcca40e94aaa8cec8b35c35
;
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2451
_reflns_number_total               3781
_reflns_odcompleteness_completeness  99.73
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       30.44
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_data_collection         'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_data_reduction          'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.247
_refine_diff_density_min           -0.228
_refine_diff_density_rms           0.048
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.015
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       253
_refine_ls_number_reflns           3781
_refine_ls_number_restraints       13
_refine_ls_R_factor_all            0.0875
_refine_ls_R_factor_gt             0.0481
_refine_ls_restrained_S_all        1.021
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0681P)²+0.1972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1152
_refine_ls_wR_factor_ref           0.1320
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O6-C14 \\sim O6-C14A
 with sigma of 0.02
 O5-C12 \\sim O5-C12A
 with sigma of 0.02
 C14-C13 \\sim C14A-C13A
 with sigma of 0.02
 C14-C15 \\sim C14A-C15A
 with sigma of 0.02
 C12-C13 \\sim C12A-C13A
 with sigma of 0.02
 C12-C11 \\sim C12A-C11A
 with sigma of 0.02
 O6-C13 \\sim O6-C13A
 with sigma of 0.04
 O6-C15 \\sim O6-C15A
 with sigma of 0.04
 O5-C13 \\sim O5-C13A
 with sigma of 0.04
 O5-C11 \\sim O5-C11A
 with sigma of 0.04
 C14-C12 \\sim C14A-C12A
 with sigma of 0.04
 C13-C11 \\sim C13A-C11A
 with sigma of 0.04
 C13-C15 \\sim C13A-C15A
 with sigma of 0.04
3. Others
 Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C12A)=Sof(C13A)=Sof(H13A)=
 Sof(C14A)=Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(1)
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C12)=Sof(C13)=Sof(H13)=Sof(C14)=
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C13A(H13A)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C11A(H11D,H11E,H11F), C15(H15A,H15B,H15C), C15A(H15D,H15E,
 H15F)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Cr1 Cr 0.26183(3) 0.26584(5) 0.52954(2) 0.05304(18) Uani 1 1 d . . . . .
 O1 O 0.24277(15) 0.5027(3) 0.48044(11) 0.0639(5) Uani 1 1 d . . . . .
 O2 O 0.13381(14) 0.1938(3) 0.47463(12) 0.0596(5) Uani 1 1 d . . . . .
 O3 O 0.20316(15) 0.3443(2) 0.62424(11) 0.0647(5) Uani 1 1 d . . . . .
 O4 O 0.28305(14) 0.0284(2) 0.57657(11) 0.0629(5) Uani 1 1 d . . . . .
 O5 O 0.38643(18) 0.3373(3) 0.58856(12) 0.0775(6) Uani 1 1 d D . . . .
 O6 O 0.31991(15) 0.1892(3) 0.43448(11) 0.0669(5) Uani 1 1 d D . . . .
 C1 C 0.1734(3) 0.7528(4) 0.4098(2) 0.0926(12) Uani 1 1 d . . . . .
 H1A H 0.203600 0.825268 0.454637 0.139 Uiso 1 1 calc GR . . . .
 H1B H 0.109763 0.796997 0.390348 0.139 Uiso 1 1 calc GR . . . .
 H1C H 0.211195 0.755905 0.365709 0.139 Uiso 1 1 calc GR . . . .
 C2 C 0.1667(3) 0.5636(4) 0.43946(17) 0.0628(8) Uani 1 1 d . . . . .
 C3 C 0.0807(2) 0.4700(4) 0.4201(2) 0.0723(8) Uani 1 1 d . . . . .
 H3 H 0.027145 0.531243 0.393628 0.087 Uiso 1 1 calc R . . . .
 C4 C 0.0689(2) 0.2921(4) 0.43721(18) 0.0608(7) Uani 1 1 d . . . . .
 C5 C -0.0275(2) 0.2044(5) 0.4083(2) 0.0930(12) Uani 1 1 d . . . . .
 H5A H -0.022169 0.128377 0.362273 0.140 Uiso 1 1 calc GR . . . .
 H5B H -0.075384 0.293660 0.391802 0.140 Uiso 1 1 calc GR . . . .
 H5C H -0.046053 0.135554 0.452557 0.140 Uiso 1 1 calc GR . . . .
 C6 C 0.1511(3) 0.3507(5) 0.75307(18) 0.0861(10) Uani 1 1 d . . . . .
 H6A H 0.137280 0.470719 0.735688 0.129 Uiso 1 1 calc GR . . . .
 H6B H 0.194629 0.350507 0.804395 0.129 Uiso 1 1 calc GR . . . .
 H6C H 0.092176 0.292128 0.760318 0.129 Uiso 1 1 calc GR . . . .
 C7 C 0.1968(2) 0.2548(4) 0.68852(16) 0.0583(7) Uani 1 1 d . . . . .
 C8 C 0.2264(2) 0.0809(4) 0.70170(17) 0.0661(8) Uani 1 1 d . . . . .
 H8 H 0.219359 0.030433 0.752207 0.079 Uiso 1 1 calc R . . . .
 C9 C 0.26566(19) -0.0250(4) 0.64598(16) 0.0563(7) Uani 1 1 d . . . . .
 C10 C 0.2907(2) -0.2149(4) 0.6659(2) 0.0748(9) Uani 1 1 d . . . . .
 H10A H 0.257164 -0.289803 0.623480 0.112 Uiso 1 1 calc GR . . . .
 H10B H 0.271877 -0.245154 0.718004 0.112 Uiso 1 1 calc GR . . . .
 H10C H 0.359052 -0.231457 0.668817 0.112 Uiso 1 1 calc GR . . . .
 C11 C 0.5614(9) 0.326(3) 0.6237(8) 0.120(5) Uani 0.55(2) 1 d D . P A 1
 H11A H 0.547751 0.410353 0.664363 0.180 Uiso 0.55(2) 1 calc GR . P A 1
 H11B H 0.606659 0.377080 0.591912 0.180 Uiso 0.55(2) 1 calc GR . P A 1
 H11C H 0.588376 0.220919 0.650659 0.180 Uiso 0.55(2) 1 calc GR . P A 1
 C11A C 0.5462(9) 0.428(2) 0.6323(8) 0.089(4) Uani 0.45(2) 1 d D . P A 2
 H11D H 0.525069 0.539139 0.652043 0.133 Uiso 0.45(2) 1 calc GR . P A 2
 H11E H 0.604354 0.446287 0.609278 0.133 Uiso 0.45(2) 1 calc GR . P A 2
 H11F H 0.558323 0.345818 0.677338 0.133 Uiso 0.45(2) 1 calc GR . P A 2
 C12 C 0.4662(6) 0.279(2) 0.5654(5) 0.084(4) Uani 0.55(2) 1 d D . P A 1
 C12A C 0.4680(7) 0.3545(18) 0.5662(7) 0.065(3) Uani 0.45(2) 1 d D . P A 2
 C13 C 0.4818(7) 0.195(2) 0.4929(6) 0.091(3) Uani 0.55(2) 1 d D . P A 1
 H13 H 0.544711 0.164336 0.486973 0.109 Uiso 0.55(2) 1 calc R . P A 1
 C13A C 0.4824(7) 0.296(3) 0.4907(6) 0.076(4) Uani 0.45(2) 1 d D . P A 2
 H13A H 0.544970 0.300137 0.478555 0.091 Uiso 0.45(2) 1 calc R . P A 2
 C14 C 0.4087(6) 0.1540(18) 0.4300(5) 0.064(3) Uani 0.55(2) 1 d D . P A 1
 C14A C 0.4106(8) 0.231(2) 0.4303(7) 0.073(4) Uani 0.45(2) 1 d D . P A 2
 C15 C 0.4244(9) 0.072(2) 0.3490(6) 0.096(3) Uani 0.55(2) 1 d D . P A 1
 H15A H 0.381363 -0.026478 0.336511 0.144 Uiso 0.55(2) 1 calc GR . P A 1
 H15B H 0.489952 0.032026 0.353273 0.144 Uiso 0.55(2) 1 calc GR . P A 1
 H15C H 0.411797 0.158927 0.305878 0.144 Uiso 0.55(2) 1 calc GR . P A 1
 C15A C 0.4409(11) 0.175(3) 0.3481(7) 0.099(5) Uani 0.45(2) 1 d D . P A 2
 H15D H 0.392299 0.098872 0.318785 0.148 Uiso 0.45(2) 1 calc GR . P A 2
 H15E H 0.501165 0.112119 0.358678 0.148 Uiso 0.45(2) 1 calc GR . P A 2
 H15F H 0.448186 0.278050 0.315508 0.148 Uiso 0.45(2) 1 calc GR . P A 2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Cr1 O1 1.962(2) . ?
 Cr1 O2 1.9561(19) . ?
 Cr1 O3 1.9571(18) . ?
 Cr1 O4 1.9553(18) . ?
 Cr1 O5 1.938(2) . ?
 Cr1 O6 1.954(2) . ?
 O1 C2 1.256(3) . ?
 O2 C4 1.257(4) . ?
 O3 C7 1.266(3) . ?
 O4 C9 1.266(3) . ?
 O5 C12 1.311(10) . ?
 O5 C12A 1.260(9) . ?
 O6 C14 1.285(8) . ?
 O6 C14A 1.321(11) . ?
 C1 H1A 0.9600 . ?
 C1 H1B 0.9600 . ?
 C1 H1C 0.9600 . ?
 C1 C2 1.516(4) . ?
 C2 C3 1.391(4) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.387(4) . ?
 C4 C5 1.513(4) . ?
 C5 H5A 0.9600 . ?
 C5 H5B 0.9600 . ?
 C5 H5C 0.9600 . ?
 C6 H6A 0.9600 . ?
 C6 H6B 0.9600 . ?
 C6 H6C 0.9600 . ?
 C6 C7 1.504(4) . ?
 C7 C8 1.384(4) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.390(4) . ?
 C9 C10 1.499(4) . ?
 C10 H10A 0.9600 . ?
 C10 H10B 0.9600 . ?
 C10 H10C 0.9600 . ?
 C11 H11A 0.9600 . ?
 C11 H11B 0.9600 . ?
 C11 H11C 0.9600 . ?
 C11 C12 1.557(9) . ?
 C11A H11D 0.9600 . ?
 C11A H11E 0.9600 . ?
 C11A H11F 0.9600 . ?
 C11A C12A 1.522(11) . ?
 C12 C13 1.396(11) . ?
 C12A C13A 1.357(11) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.372(10) . ?
 C13A H13A 0.9300 . ?
 C13A C14A 1.389(11) . ?
 C14 C15 1.510(9) . ?
 C14A C15A 1.533(11) . ?
 C15 H15A 0.9600 . ?
 C15 H15B 0.9600 . ?
 C15 H15C 0.9600 . ?
 C15A H15D 0.9600 . ?
 C15A H15E 0.9600 . ?
 C15A H15F 0.9600 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O2 Cr1 O1 90.43(8) . . ?
 O2 Cr1 O3 88.92(8) . . ?
 O3 Cr1 O1 90.13(8) . . ?
 O4 Cr1 O1 178.58(8) . . ?
 O4 Cr1 O2 89.97(8) . . ?
 O4 Cr1 O3 91.24(8) . . ?
 O5 Cr1 O1 90.36(9) . . ?
 O5 Cr1 O2 177.45(9) . . ?
 O5 Cr1 O3 88.65(10) . . ?
 O5 Cr1 O4 89.30(9) . . ?
 O5 Cr1 O6 91.50(10) . . ?
 O6 Cr1 O1 89.42(8) . . ?
 O6 Cr1 O2 90.94(9) . . ?
 O6 Cr1 O3 179.53(8) . . ?
 O6 Cr1 O4 89.21(8) . . ?
 C2 O1 Cr1 127.09(19) . . ?
 C4 O2 Cr1 127.1(2) . . ?
 C7 O3 Cr1 126.20(19) . . ?
 C9 O4 Cr1 127.41(19) . . ?
 C12 O5 Cr1 120.4(5) . . ?
 C12A O5 Cr1 132.2(6) . . ?
 C14 O6 Cr1 129.3(4) . . ?
 C14A O6 Cr1 119.6(6) . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 C2 C1 H1A 109.5 . . ?
 C2 C1 H1B 109.5 . . ?
 C2 C1 H1C 109.5 . . ?
 O1 C2 C1 115.2(3) . . ?
 O1 C2 C3 124.8(3) . . ?
 C3 C2 C1 120.0(3) . . ?
 C2 C3 H3 117.6 . . ?
 C4 C3 C2 124.9(3) . . ?
 C4 C3 H3 117.6 . . ?
 O2 C4 C3 124.7(3) . . ?
 O2 C4 C5 116.0(3) . . ?
 C3 C4 C5 119.2(3) . . ?
 C4 C5 H5A 109.5 . . ?
 C4 C5 H5B 109.5 . . ?
 C4 C5 H5C 109.5 . . ?
 H5A C5 H5B 109.5 . . ?
 H5A C5 H5C 109.5 . . ?
 H5B C5 H5C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C7 C6 H6A 109.5 . . ?
 C7 C6 H6B 109.5 . . ?
 C7 C6 H6C 109.5 . . ?
 O3 C7 C6 114.9(3) . . ?
 O3 C7 C8 125.3(3) . . ?
 C8 C7 C6 119.8(3) . . ?
 C7 C8 H8 117.2 . . ?
 C7 C8 C9 125.6(3) . . ?
 C9 C8 H8 117.2 . . ?
 O4 C9 C8 124.0(3) . . ?
 O4 C9 C10 115.4(3) . . ?
 C8 C9 C10 120.7(3) . . ?
 C9 C10 H10A 109.5 . . ?
 C9 C10 H10B 109.5 . . ?
 C9 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C12 C11 H11A 109.5 . . ?
 C12 C11 H11B 109.5 . . ?
 C12 C11 H11C 109.5 . . ?
 H11D C11A H11E 109.5 . . ?
 H11D C11A H11F 109.5 . . ?
 H11E C11A H11F 109.5 . . ?
 C12A C11A H11D 109.5 . . ?
 C12A C11A H11E 109.5 . . ?
 C12A C11A H11F 109.5 . . ?
 O5 C12 C11 115.8(9) . . ?
 O5 C12 C13 130.7(8) . . ?
 C13 C12 C11 113.3(10) . . ?
 O5 C12A C11A 114.6(10) . . ?
 O5 C12A C13A 120.1(9) . . ?
 C13A C12A C11A 125.2(9) . . ?
 C12 C13 H13 118.5 . . ?
 C14 C13 C12 123.0(9) . . ?
 C14 C13 H13 118.5 . . ?
 C12A C13A H13A 117.5 . . ?
 C12A C13A C14A 124.9(9) . . ?
 C14A C13A H13A 117.5 . . ?
 O6 C14 C13 121.9(8) . . ?
 O6 C14 C15 114.1(8) . . ?
 C13 C14 C15 124.0(8) . . ?
 O6 C14A C13A 130.1(10) . . ?
 O6 C14A C15A 112.3(9) . . ?
 C13A C14A C15A 117.1(10) . . ?
 C14 C15 H15A 109.5 . . ?
 C14 C15 H15B 109.5 . . ?
 C14 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C14A C15A H15D 109.5 . . ?
 C14A C15A H15E 109.5 . . ?
 C14A C15A H15F 109.5 . . ?
 H15D C15A H15E 109.5 . . ?
 H15D C15A H15F 109.5 . . ?
 H15E C15A H15F 109.5 . . ?


_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.289
_oxdiff_exptl_absorpt_empirical_full_min  0.818
