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Acta Cryst. (2013). E69, m397  [ doi:10.1107/S160053681301581X ]

catena-Poly[bis([mu]3-2-phenylacetato-[kappa]3O,O':O)bis([mu]2-2-phenylacetato-[kappa]2O:O')dicopper(II)(Cu-Cu)]

M. Benslimane, Y. K. Redjel, H. Merazig and J.-C. Daran


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Alert level B PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0158 Ang.
Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 2.240 Test value = 2.175 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.254 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.977 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 2.24 eA-3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 9.469 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 60 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.32 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.27 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 25.79 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.16 Ratio PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 59 %
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 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 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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