Acta Cryst. (2005). E61, m1272-m1274  [ doi:10.1107/S1600536805017071 ]

Heptaaqua[tetrachlorophthalato(2-)]praseodymium(III) tetrachlorophthalate(-) tetrachlorophthalic acid monohydrate

N. Xu, Y. Ouyang, D.-Z.. Liao and Z.-H. Jiang

Online 10 June 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.023
• wR factor = 0.057
• Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O6     -   H6B    ...          ?       
PLAT431_ALERT_2_B Short Inter HL..A Contact  Cl1    ..  O12     ..       2.96 Ang.  

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Pr1     
PLAT417_ALERT_2_C Short Inter D-H..H-D       H8A    ..  H20A    ..       2.13 Ang.  

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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