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[Contents scheme]

Acta Cryst. (2012). E68, m1395
[ doi:10.1107/S1600536812043206 ]

catena-Poly[[[diaquacopper(II)]-[mu]-quinoline-2,3-dicarboxylato-[kappa]3N,O2:O3] monohydrate]

Q.-H. Xia, Z.-F. Guo, L. Liu, Z. Wang and B. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.968 PLAT314_ALERT_2_C Check Small Angle for H2O: Metal-OW3 -H6 71.50 Deg. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 40 PLAT975_ALERT_2_C Positive Residual Density at 1.02A from OW2 . 0.68 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.42A from OW2 . -0.75 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.45A from OW2 . -0.65 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 3 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu (II) 1.97 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 10 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 47
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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