Acta Cryst. (2005). E61, m1671-m1673  [ doi:10.1107/S1600536805023986 ]

Poly[[bis[(dimethyl sulfoxide)zinc(II)]-di-₄-benzene-1,4-dicarboxylato] dimethyl sulfoxide pentasolvate]

S.-Y. Yang, L.-S. Long, R.-B. Huang, L.-S. Zheng and S. W. Ng

Online 30 July 2005

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.045
• wR factor = 0.121
• Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       5.41 Ratio 

PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       6.17 Ratio 

Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         S2     

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        S2'     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S3     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        S3'     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S4     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        S4'     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S6     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S7     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       3.21       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.06       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.60       
PLAT301_ALERT_3_C Main Residue  Disorder .........................      10.00 Perc. 
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      38.00 Perc. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  C20    ..  S4'     ..       3.26 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C27    ..  S2'     ..       3.22 Ang.  

   2 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  16 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
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster