data_exp_123
_audit_creation_date              2019-04-18
_audit_creation_method
;
Olex2 1.2-ac3
(compiled 2016.03.30 svn.r3266 for Rigaku Oxford Diffraction, GUI svn.r5168)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_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          'C6 H24 Co N6, C4 H4 O6, 5(H2 O), Cl'
_chemical_formula_sum             'C10 H38 Cl Co N6 O11'
_chemical_formula_weight          512.84
_chemical_absolute_configuration  ?
_chemical_melting_point           ?
_chemical_oxdiff_formula          'Co C H N O'
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'
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 '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       'triclinic'
_space_group_IT_number            1
_space_group_name_H-M_alt         'P 1'
_space_group_name_Hall            'P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'

_cell_length_a                    8.1448(2)
_cell_length_b                    8.2664(3)
_cell_length_c                    8.4973(3)
_cell_angle_alpha                 102.314(3)
_cell_angle_beta                  101.136(2)
_cell_angle_gamma                 95.278(2)
_cell_volume                      543.10(3)
_cell_formula_units_Z             1
_cell_measurement_reflns_used     16447
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       30.5360
_cell_measurement_theta_min       2.5150
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     0.976
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.90795
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.42a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             ?
_exptl_crystal_density_diffrn     1.568
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        ?
_exptl_crystal_F_000              272
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0236
_diffrn_reflns_av_unetI/netI      0.0136
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_l_max        12
_diffrn_reflns_limit_l_min        -12
_diffrn_reflns_number             28324
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full         26.000
_diffrn_reflns_theta_max          26.370
_diffrn_reflns_theta_min          2.574
_diffrn_ambient_temperature       293(2)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  10.0000
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_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    1.00    --   20.00  54.00 -90.00  368
  2  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-150.00  368
  3  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-120.00  368
  4  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00  70.22  368
  5  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-180.00  368
  6  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-120.00  368
  7  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00 124.66  368
  8  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00  30.00  368
  9  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-150.00  368
 10  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00 150.00  368
 11  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00  90.00  368
 12  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00 120.00  368
 13  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00   0.00  368
 14  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00-180.00  368
 15  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00  10.74  368
 16  ω    -74.00 110.00   0.50    1.00    --   20.00  54.00 -38.08  368
;
_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       -0.0014091000
_diffrn_orient_matrix_UB_12       -0.0170408000
_diffrn_orient_matrix_UB_13       0.0781168000
_diffrn_orient_matrix_UB_21       -0.0195753000
_diffrn_orient_matrix_UB_22       0.0814800000
_diffrn_orient_matrix_UB_23       0.0286266000
_diffrn_orient_matrix_UB_31       -0.0874515000
_diffrn_orient_matrix_UB_32       -0.0305912000
_diffrn_orient_matrix_UB_33       -0.0272918000
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            MoK\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          0.992
_reflns_Friedel_fraction_full     0.983
_reflns_Friedel_fraction_max      0.982
_reflns_number_gt                 4381
_reflns_number_total              4391
_reflns_odcompleteness_completeness 99.06
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_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 1.171.40.42a (Rigaku OD, 2019)'
_computing_data_collection        'CrysAlisPro 1.171.40.42a (Rigaku OD, 2019)'
_computing_data_reduction         'CrysAlisPro 1.171.40.42a (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          0.325
_refine_diff_density_min          -0.202
_refine_diff_density_rms          0.038
_refine_ls_abs_structure_details
;
 Flack x determined using 2168 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack    -0.012(3)
_refine_ls_extinction_coef        0.120(5)
_refine_ls_extinction_expression  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method      'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref    1.049
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      280
_refine_ls_number_reflns          4391
_refine_ls_number_restraints      3
_refine_ls_R_factor_all           0.0179
_refine_ls_R_factor_gt            0.0178
_refine_ls_restrained_S_all       1.048
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0288P)²+0.1135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0464
_refine_ls_wR_factor_ref          0.0464
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Free rotating group:
 O9(H9A,H9B), O8(H8A,H8B), O7(H7A,H7B), O11(H11A,H11B), O10(H10A,H10B)
2.b Ternary CH refined with riding coordinates:
 C8(H8), C9(H9)
2.c Secondary CH2 refined with riding coordinates:
 N6(H6A,H6B), N3(H3A,H3B), N4(H4A,H4B), N1(H1A,H1B), N5(H5A,H5B), N2(H2A,H2B),
 C1(H1C,H1D), C6(H6C,H6D), C5(H5C,H5D), C2(H2C,H2D), C3(H3C,H3D), C4(H4C,H4D)
2.d Idealised tetrahedral OH refined as rotating group:
 O4(H4), O3(H3)
;
_atom_sites_solution_hydrogens    mixed
_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
 Co1 Co 0.73144(2) 0.47452(2) 0.16758(2) 0.01733(9) Uani 1 1 d . . . . .
 N6 N 0.7235(3) 0.7166(3) 0.1979(3) 0.0255(4) Uani 1 1 d . . . . .
 H6A H 0.8116 0.7638 0.1680 0.031 Uiso 1 1 calc R . . . .
 H6B H 0.6297 0.7336 0.1337 0.031 Uiso 1 1 calc R . . . .
 N3 N 0.7218(3) 0.2340(3) 0.1550(3) 0.0264(5) Uani 1 1 d . . . . .
 H3A H 0.7305 0.1804 0.0549 0.032 Uiso 1 1 calc R . . . .
 H3B H 0.8072 0.2155 0.2287 0.032 Uiso 1 1 calc R . . . .
 N4 N 0.4853(3) 0.4354(3) 0.1404(3) 0.0251(4) Uani 1 1 d . . . . .
 H4A H 0.4570 0.4834 0.2337 0.030 Uiso 1 1 calc R . . . .
 H4B H 0.4360 0.4809 0.0607 0.030 Uiso 1 1 calc R . . . .
 N1 N 0.7103(3) 0.4418(3) -0.0714(3) 0.0262(5) Uani 1 1 d . . . . .
 H1A H 0.6696 0.3359 -0.1216 0.031 Uiso 1 1 calc R . . . .
 H1B H 0.6387 0.5065 -0.1101 0.031 Uiso 1 1 calc R . . . .
 N5 N 0.7712(3) 0.5193(3) 0.4089(3) 0.0251(4) Uani 1 1 d . . . . .
 H5A H 0.6763 0.4894 0.4390 0.030 Uiso 1 1 calc R . . . .
 H5B H 0.8493 0.4601 0.4467 0.030 Uiso 1 1 calc R . . . .
 N2 N 0.9764(3) 0.4994(3) 0.1821(3) 0.0280(5) Uani 1 1 d . . . . .
 H2A H 1.0198 0.6069 0.2181 0.034 Uiso 1 1 calc R . . . .
 H2B H 1.0252 0.4441 0.2534 0.034 Uiso 1 1 calc R . . . .
 C1 C 0.8793(3) 0.4851(4) -0.1065(3) 0.0340(5) Uani 1 1 d . . . . .
 H1C H 0.9022 0.6045 -0.0967 0.041 Uiso 1 1 calc R . . . .
 H1D H 0.8821 0.4275 -0.2179 0.041 Uiso 1 1 calc R . . . .
 C6 C 0.7268(4) 0.7948(3) 0.3726(3) 0.0334(5) Uani 1 1 d . . . . .
 H6C H 0.6127 0.7901 0.3909 0.040 Uiso 1 1 calc R . . . .
 H6D H 0.7767 0.9112 0.3996 0.040 Uiso 1 1 calc R . . . .
 C5 C 0.8295(4) 0.7011(3) 0.4794(3) 0.0324(5) Uani 1 1 d . . . . .
 H5C H 0.9485 0.7267 0.4810 0.039 Uiso 1 1 calc R . . . .
 H5D H 0.8138 0.7328 0.5916 0.039 Uiso 1 1 calc R . . . .
 C2 C 1.0095(3) 0.4323(4) 0.0164(3) 0.0350(6) Uani 1 1 d . . . . .
 H2C H 1.0004 0.3113 -0.0068 0.042 Uiso 1 1 calc R . . . .
 H2D H 1.1223 0.4768 0.0113 0.042 Uiso 1 1 calc R . . . .
 C3 C 0.5594(3) 0.1718(3) 0.1888(3) 0.0328(5) Uani 1 1 d . . . . .
 H3C H 0.5632 0.2019 0.3063 0.039 Uiso 1 1 calc R . . . .
 H3D H 0.5358 0.0511 0.1508 0.039 Uiso 1 1 calc R . . . .
 C4 C 0.4257(3) 0.2519(3) 0.0974(4) 0.0384(6) Uani 1 1 d . . . . .
 H4C H 0.4088 0.2072 -0.0206 0.046 Uiso 1 1 calc R . . . .
 H4D H 0.3195 0.2303 0.1299 0.046 Uiso 1 1 calc R . . . .
 O2 O 0.3798(3) 0.5907(3) 0.4353(3) 0.0495(6) Uani 1 1 d . . . . .
 O4 O 0.5668(2) 0.7404(2) 0.8539(2) 0.0306(4) Uani 1 1 d . . . . .
 H4 H 0.6205 0.8273 0.8487 0.046 Uiso 1 1 calc GR . . . .
 O3 O 0.3138(2) 0.4553(2) 0.7918(2) 0.0293(4) Uani 1 1 d . . . . .
 H3 H 0.2681 0.3625 0.7368 0.044 Uiso 1 1 calc GR . . . .
 O5 O 0.3668(3) 0.7726(2) 1.0749(2) 0.0360(4) Uani 1 1 d . . . . .
 O1 O 0.5016(2) 0.4096(2) 0.5593(3) 0.0375(4) Uani 1 1 d . . . . .
 O6 O 0.1578(3) 0.8335(3) 0.8956(2) 0.0420(5) Uani 1 1 d . . . . .
 C8 C 0.3112(3) 0.5693(3) 0.6883(3) 0.0225(4) Uani 1 1 d . . . . .
 H8 H 0.1934 0.5747 0.6386 0.027 Uiso 1 1 calc R . . . .
 C7 C 0.4049(3) 0.5171(3) 0.5502(3) 0.0273(5) Uani 1 1 d . . . . .
 C10 C 0.2988(3) 0.7875(3) 0.9352(3) 0.0248(4) Uani 1 1 d . . . . .
 C9 C 0.3914(3) 0.7422(3) 0.7941(3) 0.0225(4) Uani 1 1 d . . . . .
 H9 H 0.3779 0.8241 0.7261 0.027 Uiso 1 1 calc R . . . .
 O9 O 0.4229(4) 0.0931(3) 0.5964(4) 0.0687(8) Uani 1 1 d . . . . .
 H9A H 0.3705 0.0351 0.5020 0.103 Uiso 1 1 d G . . . .
 H9B H 0.4410 0.1951 0.5926 0.103 Uiso 1 1 d G . . . .
 O8 O 0.2154(3) 0.8279(3) 0.3422(3) 0.0477(5) Uani 1 1 d . . . . .
 H8A H 0.2620 0.8417 0.2638 0.072 Uiso 1 1 d G . . . .
 H8B H 0.2664 0.7625 0.3928 0.072 Uiso 1 1 d G . . . .
 O7 O -0.0429(3) 0.9540(3) 1.1055(3) 0.0452(5) Uani 1 1 d . . . . .
 H7A H 0.0111 0.9976 1.2039 0.068 Uiso 1 1 d G . . . .
 H7B H 0.0264 0.9253 1.0452 0.068 Uiso 1 1 d G . . . .
 O11 O 1.0109(3) 0.0673(3) 0.7467(3) 0.0544(6) Uani 1 1 d . . . . .
 H11A H 1.0265 0.0898 0.6572 0.082 Uiso 1 1 d G . . . .
 H11B H 1.0771 -0.0008 0.7737 0.082 Uiso 1 1 d G . . . .
 O10 O 0.6924(3) 0.0441(3) 0.8043(2) 0.0379(4) Uani 1 1 d . . . . .
 H10A H 0.7866 0.0371 0.7761 0.057 Uiso 1 1 d G . . . .
 H10B H 0.6211 0.0653 0.7268 0.057 Uiso 1 1 d G . . . .
 Cl1 Cl 1.03945(9) 0.24317(8) 0.45348(9) 0.04395(18) Uani 1 1 d . . . . .


_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
 Co1 N6 1.971(2) . ?
 Co1 N3 1.961(2) . ?
 Co1 N4 1.961(2) . ?
 Co1 N1 1.962(2) . ?
 Co1 N5 1.961(2) . ?
 Co1 N2 1.964(2) . ?
 N6 H6A 0.8900 . ?
 N6 H6B 0.8900 . ?
 N6 C6 1.482(3) . ?
 N3 H3A 0.8900 . ?
 N3 H3B 0.8900 . ?
 N3 C3 1.477(3) . ?
 N4 H4A 0.8900 . ?
 N4 H4B 0.8900 . ?
 N4 C4 1.493(4) . ?
 N1 H1A 0.8900 . ?
 N1 H1B 0.8900 . ?
 N1 C1 1.492(3) . ?
 N5 H5A 0.8900 . ?
 N5 H5B 0.8900 . ?
 N5 C5 1.490(3) . ?
 N2 H2A 0.8900 . ?
 N2 H2B 0.8900 . ?
 N2 C2 1.485(3) . ?
 C1 H1C 0.9700 . ?
 C1 H1D 0.9700 . ?
 C1 C2 1.503(4) . ?
 C6 H6C 0.9700 . ?
 C6 H6D 0.9700 . ?
 C6 C5 1.499(4) . ?
 C5 H5C 0.9700 . ?
 C5 H5D 0.9700 . ?
 C2 H2C 0.9700 . ?
 C2 H2D 0.9700 . ?
 C3 H3C 0.9700 . ?
 C3 H3D 0.9700 . ?
 C3 C4 1.501(4) . ?
 C4 H4C 0.9700 . ?
 C4 H4D 0.9700 . ?
 O2 C7 1.251(3) . ?
 O4 H4 0.8200 . ?
 O4 C9 1.423(3) . ?
 O3 H3 0.8200 . ?
 O3 C8 1.419(3) . ?
 O5 C10 1.246(3) . ?
 O1 C7 1.245(3) . ?
 O6 C10 1.250(3) . ?
 C8 H8 0.9800 . ?
 C8 C7 1.529(3) . ?
 C8 C9 1.526(3) . ?
 C10 C9 1.535(3) . ?
 C9 H9 0.9800 . ?
 O9 H9A 0.8499 . ?
 O9 H9B 0.8504 . ?
 O8 H8A 0.8504 . ?
 O8 H8B 0.8496 . ?
 O7 H7A 0.8500 . ?
 O7 H7B 0.8495 . ?
 O11 H11A 0.8499 . ?
 O11 H11B 0.8502 . ?
 O10 H10A 0.8501 . ?
 O10 H10B 0.8499 . ?

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
 N3 Co1 N6 173.42(11) . . ?
 N3 Co1 N1 92.48(10) . . ?
 N3 Co1 N2 91.68(10) . . ?
 N4 Co1 N6 89.95(9) . . ?
 N4 Co1 N3 85.44(10) . . ?
 N4 Co1 N1 91.51(9) . . ?
 N4 Co1 N2 175.94(11) . . ?
 N1 Co1 N6 92.33(9) . . ?
 N1 Co1 N2 85.75(10) . . ?
 N5 Co1 N6 85.50(9) . . ?
 N5 Co1 N3 90.04(9) . . ?
 N5 Co1 N4 92.93(9) . . ?
 N5 Co1 N1 175.05(11) . . ?
 N5 Co1 N2 89.93(10) . . ?
 N2 Co1 N6 93.15(10) . . ?
 Co1 N6 H6A 109.6 . . ?
 Co1 N6 H6B 109.6 . . ?
 H6A N6 H6B 108.1 . . ?
 C6 N6 Co1 110.46(16) . . ?
 C6 N6 H6A 109.6 . . ?
 C6 N6 H6B 109.6 . . ?
 Co1 N3 H3A 109.9 . . ?
 Co1 N3 H3B 109.9 . . ?
 H3A N3 H3B 108.3 . . ?
 C3 N3 Co1 108.87(16) . . ?
 C3 N3 H3A 109.9 . . ?
 C3 N3 H3B 109.9 . . ?
 Co1 N4 H4A 109.7 . . ?
 Co1 N4 H4B 109.7 . . ?
 H4A N4 H4B 108.2 . . ?
 C4 N4 Co1 109.77(17) . . ?
 C4 N4 H4A 109.7 . . ?
 C4 N4 H4B 109.7 . . ?
 Co1 N1 H1A 109.8 . . ?
 Co1 N1 H1B 109.8 . . ?
 H1A N1 H1B 108.2 . . ?
 C1 N1 Co1 109.58(17) . . ?
 C1 N1 H1A 109.8 . . ?
 C1 N1 H1B 109.8 . . ?
 Co1 N5 H5A 109.9 . . ?
 Co1 N5 H5B 109.9 . . ?
 H5A N5 H5B 108.3 . . ?
 C5 N5 Co1 108.91(16) . . ?
 C5 N5 H5A 109.9 . . ?
 C5 N5 H5B 109.9 . . ?
 Co1 N2 H2A 109.8 . . ?
 Co1 N2 H2B 109.8 . . ?
 H2A N2 H2B 108.3 . . ?
 C2 N2 Co1 109.21(16) . . ?
 C2 N2 H2A 109.8 . . ?
 C2 N2 H2B 109.8 . . ?
 N1 C1 H1C 110.1 . . ?
 N1 C1 H1D 110.1 . . ?
 N1 C1 C2 107.9(2) . . ?
 H1C C1 H1D 108.4 . . ?
 C2 C1 H1C 110.1 . . ?
 C2 C1 H1D 110.1 . . ?
 N6 C6 H6C 110.0 . . ?
 N6 C6 H6D 110.0 . . ?
 N6 C6 C5 108.27(19) . . ?
 H6C C6 H6D 108.4 . . ?
 C5 C6 H6C 110.0 . . ?
 C5 C6 H6D 110.0 . . ?
 N5 C5 C6 107.7(2) . . ?
 N5 C5 H5C 110.2 . . ?
 N5 C5 H5D 110.2 . . ?
 C6 C5 H5C 110.2 . . ?
 C6 C5 H5D 110.2 . . ?
 H5C C5 H5D 108.5 . . ?
 N2 C2 C1 107.0(2) . . ?
 N2 C2 H2C 110.3 . . ?
 N2 C2 H2D 110.3 . . ?
 C1 C2 H2C 110.3 . . ?
 C1 C2 H2D 110.3 . . ?
 H2C C2 H2D 108.6 . . ?
 N3 C3 H3C 110.4 . . ?
 N3 C3 H3D 110.4 . . ?
 N3 C3 C4 106.8(2) . . ?
 H3C C3 H3D 108.6 . . ?
 C4 C3 H3C 110.4 . . ?
 C4 C3 H3D 110.4 . . ?
 N4 C4 C3 107.2(2) . . ?
 N4 C4 H4C 110.3 . . ?
 N4 C4 H4D 110.3 . . ?
 C3 C4 H4C 110.3 . . ?
 C3 C4 H4D 110.3 . . ?
 H4C C4 H4D 108.5 . . ?
 C9 O4 H4 109.5 . . ?
 C8 O3 H3 109.5 . . ?
 O3 C8 H8 108.7 . . ?
 O3 C8 C7 112.25(18) . . ?
 O3 C8 C9 108.57(17) . . ?
 C7 C8 H8 108.7 . . ?
 C9 C8 H8 108.7 . . ?
 C9 C8 C7 109.86(18) . . ?
 O2 C7 C8 115.9(2) . . ?
 O1 C7 O2 124.5(2) . . ?
 O1 C7 C8 119.6(2) . . ?
 O5 C10 O6 126.3(2) . . ?
 O5 C10 C9 118.5(2) . . ?
 O6 C10 C9 115.2(2) . . ?
 O4 C9 C8 109.30(17) . . ?
 O4 C9 C10 112.01(18) . . ?
 O4 C9 H9 109.0 . . ?
 C8 C9 C10 108.41(17) . . ?
 C8 C9 H9 109.0 . . ?
 C10 C9 H9 109.0 . . ?
 H9A O9 H9B 109.5 . . ?
 H8A O8 H8B 109.5 . . ?
 H7A O7 H7B 109.5 . . ?
 H11A O11 H11B 109.5 . . ?
 H10A O10 H10B 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Co1 N6 C6 C5 32.1(3) . . . . ?
 Co1 N3 C3 C4 42.5(2) . . . . ?
 Co1 N4 C4 C3 35.2(3) . . . . ?
 Co1 N1 C1 C2 35.7(2) . . . . ?
 Co1 N5 C5 C6 40.7(2) . . . . ?
 Co1 N2 C2 C1 40.2(2) . . . . ?
 N6 C6 C5 N5 -47.3(3) . . . . ?
 N3 C3 C4 N4 -50.4(3) . . . . ?
 N1 C1 C2 N2 -49.3(3) . . . . ?
 O3 C8 C7 O2 166.1(2) . . . . ?
 O3 C8 C7 O1 -15.4(3) . . . . ?
 O3 C8 C9 O4 67.7(2) . . . . ?
 O3 C8 C9 C10 -54.7(2) . . . . ?
 O5 C10 C9 O4 -19.1(3) . . . . ?
 O5 C10 C9 C8 101.6(2) . . . . ?
 O6 C10 C9 O4 162.3(2) . . . . ?
 O6 C10 C9 C8 -77.1(2) . . . . ?
 C7 C8 C9 O4 -55.4(2) . . . . ?
 C7 C8 C9 C10 -177.80(19) . . . . ?
 C9 C8 C7 O2 -73.0(3) . . . . ?
 C9 C8 C7 O1 105.5(3) . . . . ?

_shelx_SHELXL_version_number      '2014/7'
_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 1.126
_oxdiff_exptl_absorpt_empirical_full_min 0.886

