Acta Cryst. (2006). E62, m3388-m3389  [ doi:10.1107/S1600536806048501 ]

cis-Aquachlorobis(1,10-phenanthroline-²N,N')manganese(II) 4-formylbenzoate trihydrate

Z.-P. Deng, S. Gao, L.-H. Huo and H. Zhao

Online 22 November 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.034
• wR factor = 0.109
• Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              H2 O                                                             

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   0 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster