(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m597-m598 [ doi:10.1107/S1600536806006301 ]

-Oxalato-bis[chlorotripyridinecobalt(II)] pyridine disolvate

M. Bolte

Online 24 February 2006

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.008 Å
R factor = 0.063
wR factor = 0.190
Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Co1    -   Cl1     ..      27.24 su    
PLAT369_ALERT_2_B Long   C(sp2)-C(sp2) Bond  C1     -   C1_a   ...       1.57 Ang.  

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.62       
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        N41     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   1 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 93
              [Co~2~(C~2~O~4~)~Cl~2~(C~5~H~5~N)~6~].C~5~H~5~N, is located on a
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   1 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