Acta Cryst. (2012). E68, m38-m39  [ doi:10.1107/S1600536811052512 ]

Poly[[{₃-dihydrogen [(pyridin-4-ylmethylimino)bis(methylene)]diphosphonato-⁵O:O',N,O'':N'}copper(II)] dihydrate]

S.-Y. Zhang, Z.-G. Zhou and K.-J. Wang

Online 10 December 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.006 Å
• R factor = 0.046
• wR factor = 0.118
• Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1B    ..  H1WB    ..       2.10 Ang. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1WA   ..  H1B     ..       2.11 Ang. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H2WB   ..  H6C     ..       2.11 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         33      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          6      
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          1      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00030 Ang. 
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00200 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT793_ALERT_4_G The Model has Chirality at P1      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at P2      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at N2      (Verify) ....          S      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     (II)          2.05      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

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

   2 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
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

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