[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1482
[ doi:10.1107/S1600536812046387 ]

Bis(2-{[bis(dimethylamino)methylidene]amino-[kappa]N}benzenesulfonato-[kappa]N)copper(II)

A. Neuba, U. Flörke and G. Henkel


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.13 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.558
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.87 From the CIF: _reflns_number_total 6315 Count of symmetry unique reflns 3362 Completeness (_total/calc) 187.83% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2953 Fraction of Friedel pairs measured 0.878 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.27
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level G PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is missing. This is required for a full paper submission (but is optional for an electronic paper).
0 ALERT level A = Data missing that is essential or data in wrong format 1 ALERT level G = General alerts. Data that may be required is missing

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