Acta Cryst. (2010). E66, m24-m25  [ doi:10.1107/S1600536809051964 ]

Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) pentahydrate

Q. Jun and C. Zhang

Online 9 December 2009

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.003 Å
• R factor = 0.028
• wR factor = 0.059
• Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) .....         12      

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  N12     ..       5.39 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C1      ..       7.78 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C2      ..       8.37 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C3      ..       7.96 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C4      ..       8.89 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C5      ..       8.73 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C6      ..       8.43 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C7      ..       6.96 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  C8      ..       9.93 su   
PLAT420_ALERT_2_C D-H Without Acceptor       N9     -   H9A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N9     -   H9B    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N10    -   H10A   ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N10    -   H10B   ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N18    -   H18A   ...          ?      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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