Acta Cryst. (2006). E62, m526-m528  [ doi:10.1107/S1600536806002832 ]

-Hexatriacontaoxophosphatododecamolybdato-bis[bis(1,10-phenanthroline)copper(II)]

Y.-P. Bai and E. Wang

Online 15 February 2006

Key indicators

• Single-crystal X-ray study
• T = 283 K
• Mean (C-C) = 0.017 Å
• R factor = 0.052
• wR factor = 0.127
• Data-to-parameter ratio = 11.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O16    ..  O37     ..       2.78 Ang.  
PLAT432_ALERT_2_B Short Inter X...Y Contact  O1     ..  C32     ..       2.91 Ang.  
PLAT432_ALERT_2_B Short Inter X...Y Contact  O25    ..  C11     ..       2.90 Ang.  

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT213_ALERT_2_C Atom N7      has ADP max/min Ratio .............       3.10 prolat
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.20 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo9    -   O36     ..       5.61 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo10   -   O37     ..       5.67 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C26     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         17       
PLAT432_ALERT_2_C Short Inter X...Y Contact  O8     ..  C46     ..       3.00 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O15    ..  C41     ..       2.99 Ang.  

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 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 117
              [Cu~2~Mo~12~O~40~P~(C~12~H~8~N~2~)~4~],
              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

Copyright © International Union of Crystallography
IUCr Webmaster