Acta Cryst. (2008). E64, m1069-m1070  [ doi:10.1107/S1600536808022745 ]

Trisodium bis{1-[iminio(morpholino)methyl]guanidinium} bis[hexahydrogenhexamolybdoaluminate(III)] chloride icosahydrate

F. Wang, R.-G. Cao, Y.-B. Pan and S.-X. Liu

Online 26 July 2008

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.009 Å
• Disorder in main residue
• R factor = 0.035
• wR factor = 0.093
• Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       4.97 Ratio

PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.12 Ratio

Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O31    -   H25    ...          ?      

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.73 Ratio

PLAT301_ALERT_3_C Main Residue  Disorder .........................       1.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          9      
PLAT416_ALERT_2_C Short Intra D-H..H-D       H8     ..  H24     ..       1.91 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O16    ..  C6      ..       2.96 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O23    ..  C5      ..       2.94 Ang. 
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          4      

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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