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[Contents scheme]

Acta Cryst. (2013). E69, m586-m587
[ doi:10.1107/S1600536813026421 ]

catena-Poly[[di­aqua­[[mu]2-4-(4-carb­oxy­phen­oxy)benzoato]([mu]2-4,4'-oxydibenzo­ato)praseodymium(III)] monohydrate]

P. Li, D.-M. Su and C.-G. Zheng


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr1 -- O10 .. 5.7 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr1 -- O11 .. 5.4 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pr1 -- O12_a .. 5.7 su PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... O5 Check PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C2 -C18 1.37 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.146 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 3 PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... 0.0021 Check PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.039 Check PLAT975_ALERT_2_C Positive Residual Density at 0.90A from O10 . 0.52 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.07A from O10 . -0.51 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.63A from O13 . -0.42 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.72A from O13 . -0.41 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 2 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 7 Why ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 15.83 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pr1 -- O7_c .. 7.1 su PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 79 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 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 0 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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