Acta Cryst. (2012). E68, m697-m698
[ doi:10.1107/S1600536812017734 ]

Poly[[diaquabis(₃-3,5-dicarboxybenzoato-³O¹:O³:O⁵)bis(₃-5-carboxybenzene-1,3-dicarboxylato-³O¹:O³:O⁵)tetrakis(methylformamide-O)trimanganese(II)] dimethylformamide tetrasolvate]

J.-W. Lei, C.-X. Xie and H. Yang

Online 28 April 2012

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.058
• wR factor = 0.116
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        5.3 Ratio

Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H    Uiso(max)/Uiso(min) ..        5.1 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O13    --  C19     ..        7.0 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N2     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of          N4     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         11      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          2      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          5      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.03000 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C20     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C21     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C24     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C27     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C30     
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            O1  -MN1 -O1  -C1      1.00  0.00   2.757   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            O7  -MN1 -O7  -C10     5.00  0.00   2.757   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         20     
            O13 -MN1 -O13 -C19     8.00  0.00   2.757   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         25     
            O4  -MN2 -O14 -C22   145.40  0.50   2.757   1.555   1.555   1.555  
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          1 Times
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          68 Perc.
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  18 ALERT level G = General information/check it is not something unexpected

   3 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
   4 ALERT type 3 Indicator that the structure quality may be low
  10 ALERT type 4 Improvement, methodology, query or suggestion
   5 ALERT type 5 Informative message, check

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