(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, m1183 [ doi:10.1107/S160053681003429X ]

catena-Poly[[diaquastrontium(II)]-bis[-2-(3-benzoylphenyl)propanoato]]

Z.-Y. Zhang, N. Yu, M. Li, N.-X. Wu and B.-Y. Liu

Online 4 September 2010

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.010 Å
R factor = 0.050
wR factor = 0.136
Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1W    -   H1W1   ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2W1   ...          ?      

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sr1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          9      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595          3      
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ......       3.25 Sigma
PLAT234_ALERT_4_C Large Hirshfeld Difference C4     --  C9      ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C8     --  C10     ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C11    --  C12     ..       0.17 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          7      
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C18     (Verify) ....          R      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   8 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check