[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1478-m1479
[ doi:10.1107/S160053681204617X ]

Poly[[hexaaquabis([mu]3-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]

W. Starosta and J. Leciejewicz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.8 Ratio PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CA1 -- CA1 .. 3.98 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C6 H8 Ca N2 O7 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.20 Ratio PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 8
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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