(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, m71 [ doi:10.1107/S1600536810051366 ]

catena-Poly[[bis(dimethylammonium) [cadmate(II)-bis(-1,1':4',1''-terphenyl-3,3''-dicarboxylato)]] dimethylformamide disolvate]

S.-W. Park, J.-M. Gu, Y. Kim and S. Huh

Online 11 December 2010

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.046
wR factor = 0.116
Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O1      ..       5.59 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O2      ..       7.00 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      50.00 A   3 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          7      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         N21     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         N31     
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT432_ALERT_2_G Short Inter X...Y Contact  O1     ..  C21     ..       2.95 Ang. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cd1     .......       1.95      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   4 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
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check