[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m538
[ doi:10.1107/S1600536813024781 ]

catena-Poly[[triaquacopper(II)]-[mu]-5-carboxybenzene-1,3-dicarboxylato-[kappa]2O1:O3]

Y.-H. Ma, P.-Z. Ma, T. Yao and J.-T. Hao


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C 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 Cu1 PLAT245_ALERT_2_C U(iso) H2WA Smaller than U(eq) O2W by ... 0.017 AngSq PLAT245_ALERT_2_C U(iso) H3WB Smaller than U(eq) O3W by ... 0.014 AngSq PLAT245_ALERT_2_C U(iso) H2WB Smaller than U(eq) O2W by ... 0.017 AngSq PLAT245_ALERT_2_C U(iso) H1WA Smaller than U(eq) O1W by ... 0.011 AngSq PLAT245_ALERT_2_C U(iso) H3WA Smaller than U(eq) O3W by ... 0.014 AngSq PLAT245_ALERT_2_C U(iso) H1WB Smaller than U(eq) O1W by ... 0.011 AngSq PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.274 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT975_ALERT_2_C Positive Residual Density at 0.90A from O2W . 0.52 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 11 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 O5 -CU1 -O2 -C1 -135.30 1.10 2.746 1.555 1.555 1.555 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.11 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 10 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 75 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 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 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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