[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1556
[ doi:10.1107/S1600536812048179 ]

Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron

A. Ahmida, U. Flörke and G. Henkel


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9
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 28.08 From the CIF: _reflns_number_total 6362 Count of symmetry unique reflns 3573 Completeness (_total/calc) 178.06% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2789 Fraction of Friedel pairs measured 0.781 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C1 .. 5.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C2 .. 8.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C3 .. 10.9 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C4 .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C15 .. 5.8 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C20
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 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 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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