(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m1276-m1277 [ doi:10.1107/S1600536808029139 ]

A tetranuclear chlorido-bridged manganese(II) cluster with imidazole ligands

M. A. Kurawa, C. J. Adams and A. G. Orpen

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.009 Å
Disorder in main residue
R factor = 0.058
wR factor = 0.143
Data-to-parameter ratio = 18.6

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.54 Ratio
PLAT220_ALERT_2_B Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       4.37 Ratio
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N7     --  C12     ..      12.65 su   

Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.47 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N8'     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N7     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       7.00 Perc.
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........         O1     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          9      
PLAT420_ALERT_2_C D-H Without Acceptor      >N8'    -   H11    ...          ?      
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C9      ..       2.98 Ang. 
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C14     

Alert level G
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      62.00 Perc.

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 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