[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m564-m565
[ doi:10.1107/S160053681302607X ]

(2,3,5,6-Tetrafluorophenolato-[kappa]O)(5,10,15,20-tetraphenylporphyrinato)iron(III)

N. Xu, D. R. Powell and G. B. Richter-Addo


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT015_ALERT_5_A No _shelx_hkl_file record in SHELXL20xy CIF ... Please Do !
Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.470 From the CIF: _refine_ls_abs_structure_Flack_su 0.030 PLAT090_ALERT_3_C Poor Data / Parameter Ratio (Zmax > 18) ........ 7.11 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.5 Ratio PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0078 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... -9 Units PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 20 Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 240 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 41
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 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 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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