Acta Cryst. (2004). E60, m566-m567  [ doi:10.1107/S1600536804008128 ]

Benzyltrimethylammonium tris(pyrimidine-2-thiolato-²N,S)nickelate(II)

L. Han, Y. Xu, B.-Y. Lou and M.-C. Hong

Online 17 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.070
• Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Ni1    -   S1      ..      10.24 su    

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    -   S2      ..       9.57 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    -   S3      ..       8.48 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    -   N5      ..       5.41 su    
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C10 H16 N                                                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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