[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1535
[ doi:10.1107/S1600536812047812 ]


V. O. Nyamori, G. Keru and B. Omondi

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 5.1 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
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 28.28 From the CIF: _reflns_number_total 7976 Count of symmetry unique reflns 4408 Completeness (_total/calc) 180.94% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3568 Fraction of Friedel pairs measured 0.809 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C22 H18 Fe N2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 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 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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