[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1172
[ doi:10.1107/S1600536812034502 ]

{4,4'-Dimethyl-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate

H. Kargar, R. Kia, F. Ganji and V. Mirkhani


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.973 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0124 Ang PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C21 H24 Cu N2 O2 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.175 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.058 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 50 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Cu1 1.09 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.86A from O1 . -0.47 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 H2 O
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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