[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2008). E64, m1377-m1378  [ doi:10.1107/S1600536808031887 ]

[(-)-(1S,2S)-N,N'-Bis(2-oxidobenzylidene)-1,2-diphenylethane-1,2-diamine]bis(pyridine)cobalt(III) perchlorate methanol hemisolvate hemihydrate

Y.-T. Chen

Online 9 October 2008

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 5.22 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C26 -- C27 .. 5.98 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C31 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 7 PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.80 Sigma PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1
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 25.99 From the CIF: _reflns_number_total 7407 Count of symmetry unique reflns 4152 Completeness (_total/calc) 178.40% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3255 Fraction of Friedel pairs measured 0.784 Are heavy atom types Z>Si present yes PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 13 PLAT302_ALERT_4_G Anion/Solvent Disorder ......................... 19.00 Perc. PLAT791_ALERT_4_G Confirm the Absolute Configuration of C15 ... S PLAT791_ALERT_4_G Confirm the Absolute Configuration of C16 ... S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster