Acta Cryst. (2005). E61, m796-m798  [ doi:10.1107/S1600536805009530 ]

A cyano-bridged trimeric complex [Mn(CH₃OH)₂(H₂O)₂][Fe(bpb)(CN)₂]₂·2H₂O [bpb^2- is 1,2-bis(pyridine-2-carboxamido)benzenate]

Z.-H. Ni, H.-Z. Kou, L.-F. Zhang, Y.-B. Jiang and A.-L. Cui

Online 31 March 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.034
• wR factor = 0.112
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe     -   C1      ..       8.19 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe     -   C2      ..       7.37 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Mn     
PLAT417_ALERT_2_C Short Inter D-H..H-D       H101   ..  H200    ..       2.12 Ang.  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              H2 O                                                              

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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