No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report
Datablock: sb35pad
Bond precision: C-C = 0.0091 A Wavelength=0.71073
Cell: a=13.9240(13) b=20.399(2) c=9.2650(9)
alpha=90 beta=127.746(1) gamma=90
Temperature: 273 K
Calculated Reported
Volume 2080.884 2080.9(3)
Space group C 2/c ?
Hall group -C 2yc ?
Moiety formula C16 H8 Co O8, 2(C2 H7 N) ?
Sum formula C20 H22 Co N2 O8 C20 H22 Co N2 O8
Mr 477.33 477.33
Dx,g cm-3 1.524 1.524
Z 4 4
Mu (mm-1) 0.875 0.875
F000 988.0 988.0
F000' 989.88
h,k,lmax 16,24,11 16,24,10
Nref 1833 1829
Tmin,Tmax 0.969,0.983 0.782,0.983
Tmin' 0.769
Correction method= # Reported T Limits: Tmin=0.782 Tmax=0.983 AbsCorr = ?
Data completeness= 0.998 Theta(max)= 25.000
R(reflections)= 0.0652( 1611) wR2(reflections)= 0.1674( 1829)
S = 1.154 Npar= 141 
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 A
SYMM001_ALERT_1_A  _symmetry_cell_setting is missing
            The cell setting should be one of the following
            *  triclinic
            *  monoclinic
            *  orthorhombic
            *  tetragonal
            *  rhombohedral
            *  trigonal
            *  hexagonal
            *  cubic
            The following tests will not be performed.
            SYMMS_01,SYMMS_02
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
            Crystal habit description.
            The following tests will not be performed.
            CRYSR_01
DIFF003_ALERT_1_A  _diffrn_measurement_device_type is missing
            Diffractometer make and type. Replaces _diffrn_measurement_type.
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........     Please Do !  
PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used Value ....     Please Do !  
PLAT184_ALERT_1_A Missing _cell_measurement_theta_min   Value ....     Please Do !  
PLAT185_ALERT_1_A Missing _cell_measurement_theta_max   Value ....     Please Do !  
PLAT699_ALERT_1_A Missing _exptl_crystal_description Value .......     Please Do !  

Alert level C
PLAT052_ALERT_1_C Info on Absorption Correction Method   Not Given     Please Do !  
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0091 Ang.  

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info  
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do !  
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          3 Report
              H1A     H1B     H1C                                               
PLAT093_ALERT_1_G No s.u.'s on H-positions, Refinement Reported as      mixed Check 
PLAT104_ALERT_1_G The Reported Crystal System is Inconsistent with       C2/c Check 
PLAT128_ALERT_4_G Alternate Setting for Input Space-group     C2/c       I2/a Note  
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        273 Check 
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        273 Check 
PLAT700_ALERT_1_G Superseded _atom_site_symmetry_multiplicity name     Please Check 
PLAT794_ALERT_5_G Tentative Bond Valency for Co        (II)      .       1.73 Info  
PLAT899_ALERT_4_G SHELXL-97  is Outdated   and Succeeded by SHELXL     2019/3 Note  

   8 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  11 ALERT level G = General information/check it is not something unexpected

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

It is advisable to attempt to resolve as many as possible of the alerts in all categories. Often the minor alerts point to easily fixed oversights, errors and omissions in your CIF or refinement strategy, so attention to these fine details can be worthwhile. It is up to the individual to critically assess their own results and, if necessary, seek expert advice.

PLATON version of 26/09/2025; check.def file version of 20/09/2025
Datablock sb35pad - ellipsoid plot

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