[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1214
[ doi:10.1107/S1600536812036112 ]

(2,3,7,8,12,13,17,18-Octaethylporphyrinato-[kappa]4N)cobalt(II)-2-nitrobenzaldehyde (1/2)

A. Mansour, J.-C. Daran and H. Nasri


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for O1 -- C106 .. 7.5 su PLAT351_ALERT_3_B Long C-H Bond (0.96A) C106 - H106 ... 1.20 Ang.
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.19 PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 7 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C100 -C105 1.37 Ang. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0068 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.123 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.214 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 15
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 9.96 PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 1 PLAT343_ALERT_2_G Check sp? Angle Range in Main Residue for .. C106 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Co (III) 2.19 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 59 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 8 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 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

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