(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, m285 [ doi:10.1107/S1600536809004450 ]

catena-Poly[[diaquabis(diphenylacetato)zinc(II)]--4,4'-bipyridine]

S.-S. Yu, H. Zhou, H. Xian and Z.-F. Tian

Online 18 February 2009

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.007 Å
R factor = 0.061
wR factor = 0.135
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C3     --  C4      ..       8.53 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C10    --  C11     ..       7.06 su   

Alert level C
            Value of measurement temperature given =   291.000
            Value of melting point given =     0.000
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     --  C14     ..       6.39 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     --  C3      ..       5.68 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C5     --  C6      ..       5.67 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    --  O1      ..       5.12 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    --  O3      ..       5.71 su   
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      
PLAT234_ALERT_4_C Large Hirshfeld Difference N1     --  C15     ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference N1     --  C19     ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C6     --  C7      ..       0.10  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C8     --  C9      ..       0.13  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C11    --  C12     ..       0.10  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C16    --  C17     ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C18    --  C19     ..       0.12  Ang.

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