Acta Cryst. (2008). E64, m3-m4  [ doi:10.1107/S1600536807061314 ]

-4,4'-Diazenediyldiphthalato-²O²:O^2'-bis[pentaaquamanganese(II)] tetrahydrate

J.-W. Bai, J. Wang, Y. Hou, B.-Z. Zhao and Q. Fu

Online 6 December 2007

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.033
• wR factor = 0.090
• Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2WB   ...          ?      

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.12      
PLAT417_ALERT_2_C Short Inter D-H..H-D       H6WA   ..  H7WA    ..       2.12 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2WA   ..  O1      ..       2.64 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2WB   ..  O1W     ..       2.63 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         14      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              H2 O                                                             

Alert level G
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          3 Times

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

   0 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
   0 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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