Acta Cryst. (2010). E66, m1428-m1429  [ doi:10.1107/S1600536810041255 ]

Bis[-2-(4-hydroxyphenyl)acetato]-³O,O':O;³O:O,O'-bis{aqua(4,4'-bipyridine-N)bis[2-(4-hydroxyphenyl)acetato-²O,O']gadolinium(III)} monohydrate

J.-L. Liu, J.-F. Liu and G.-L. Zhao

Online 23 October 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.004 Å
• R factor = 0.020
• wR factor = 0.048
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Gd2    --  O10     ..      10.28 su   
PLAT919_ALERT_3_B Reflection(s) # Likely Affected by the Beamstop           1      

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd1    --  O2      ..       5.47 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd1    --  O4      ..       7.49 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd1    --  O5      ..       6.42 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd1    --  O8      ..       9.66 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd2    --  O13     ..       5.98 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd2    --  O14     ..       7.32 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd2    --  O16     ..       8.53 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd2    --  O17     ..       6.31 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Gd2    --  N3      ..       5.63 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O7     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O17     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         29      
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang. 

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       1000 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          6      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  13 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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