Acta Cryst. (2012). E68, m235  [ doi:10.1107/S1600536812003340 ]

Dichlorido[(1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-³N,N',N'']mercury(II)

C.-Z. Gao, X.-Y. Zhang and L. Cheng

Online 4 February 2012

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.007 Å
• R factor = 0.021
• wR factor = 0.045
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2B    ...          ?      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.99
           From the CIF: _reflns_number_total               2902
           Count of symmetry unique reflns         1696
           Completeness (_total/calc)            171.11%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1206
           Fraction of Friedel pairs measured     0.711
           Are heavy atom types Z>Si present        yes
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          3      
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Hg1    --  Cl1     ..        5.7 su   
PLAT791_ALERT_4_G Note: The Model has Chirality at N2     (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C7     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C12    (Verify)          R      

   0 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
   7 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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