checkCIF () running

checkCIF/PLATON (full publication check)

Structure factors have been supplied for datablock(s) exp_324

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report

The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1A      --H1AA     .     Please Check 
PLAT480_ALERT_4_B Long H...A H-Bond Reported H6D      ..N2       .       3.08 Ang.  
Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N5       --H5A      .     Please Check 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1C      ..O1       .       2.70 Ang.  
And 2 other PLAT480 Alerts
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1C      ..O1A      .       2.68 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3D      ..O1A      .       2.64 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported C6       ..N2               3.90 Ang.  
PLAT761_ALERT_1_C CIF Contains no X-H Bonds ......................     Please Check 
PLAT762_ALERT_1_C CIF Contains no X-Y-H or H-Y-H Angles ..........     Please Check 
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.086 Check 
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.67A   From I3              1.56 eA-3  
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.59A   From I3             -1.87 eA-3  
PLAT972_ALERT_2_C Check Calcd Resid. Dens.  0.66A   From I3             -1.61 eA-3  
PLAT977_ALERT_2_C Check Negative Difference Density on H3B              -0.33 eA-3  
Alert level G
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............         16 Report
PLAT012_ALERT_1_G No       _shelx_res_checksum Found in CIF ......     Please Check 
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check 
PLAT063_ALERT_4_G Crystal Size Possibly too Large for Beam Size ..       0.65 mm    
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       9.38 Why ? 
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check 
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check 
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  5  )       100% Note  
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  6  )       100% Note  
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd  5  )       1.61 Check 
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd  6  )       1.39 Check 
PLAT417_ALERT_2_G Short Inter D-H..H-D       H1B      ..H1F      .       1.98 Ang.  
                                                      x,y,z  =      1_555 Check 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2 Note  
PLAT794_ALERT_5_G Tentative Bond Valency for Co1       (III)     .       3.33 Info  
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note  
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         48 Note  
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          2 Info  
   0 ALERT level A = Most likely a serious problem - resolve or explain
   2 ALERT level B = A potentially serious problem, consider carefully
  12 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  17 ALERT level G = General information/check it is not something unexpected

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
  12 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Alert level A
PUBL004_ALERT_1_A  The contact author's name and address are missing,
            _publ_contact_author_name and _publ_contact_author_address.
PUBL005_ALERT_1_A  _publ_contact_author_email, _publ_contact_author_fax and
            _publ_contact_author_phone are all missing.
            At least one of these should be present.
PUBL006_ALERT_1_A  _publ_requested_journal is missing
            e.g. 'Acta Crystallographica Section C'
PUBL008_ALERT_1_A  _publ_section_title is missing. Title of paper.
PUBL009_ALERT_1_A  _publ_author_name is missing. List of author(s) name(s).
PUBL010_ALERT_1_A  _publ_author_address is missing. Author(s) address(es).
PUBL012_ALERT_1_A  _publ_section_abstract is missing.
            Abstract of paper in English.
   7 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

Please find below a validation response form (VRF) that can be filled in and pasted into your CIF.

# start Validation Reply Form
_vrf_PUBL004_GLOBAL
;
PROBLEM: The contact author's name and address are missing,
RESPONSE: ...
;
_vrf_PUBL005_GLOBAL
;
PROBLEM: _publ_contact_author_email, _publ_contact_author_fax and
RESPONSE: ...
;
_vrf_PUBL006_GLOBAL
;
PROBLEM: _publ_requested_journal is missing
RESPONSE: ...
;
_vrf_PUBL008_GLOBAL
;
PROBLEM: _publ_section_title is missing. Title of paper.
RESPONSE: ...
;
_vrf_PUBL009_GLOBAL
;
PROBLEM: _publ_author_name is missing. List of author(s) name(s).
RESPONSE: ...
;
_vrf_PUBL010_GLOBAL
;
PROBLEM: _publ_author_address is missing. Author(s) address(es).
RESPONSE: ...
;
_vrf_PUBL012_GLOBAL
;
PROBLEM: _publ_section_abstract is missing.
RESPONSE: ...
;
# end Validation Reply Form

Datablock exp_324 - ellipsoid plot