Acta Cryst. (2008). E64, m757  [ doi:10.1107/S1600536808012427 ]

cis-Dichloridobis(1,10-phenanthroline-²N,N')manganese(II)-2,6-dihydroxybenzoic acid-water (2/1/4)

Q. Yang, J.-J. Nie and D.-J. Xu

Online 3 May 2008

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.008 Å
• Disorder in main residue
• R factor = 0.060
• wR factor = 0.191
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Mn     -   Cl1     ..      51.65 su   

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Mn     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C30     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C36     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8      
PLAT415_ALERT_2_C Short Inter D-H..H-X       H1B    ..  H3      ..       2.11 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             

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

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

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