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

[Contents scheme]

Acta Cryst. (2012). E68, o44  [ doi:10.1107/S160053681105183X ]

trans-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)

Z. Phasha, S. Makhoba and A. Muller

Online 7 December 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.354 From the CIF: _refine_ls_abs_structure_Flack_su 0.006 PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero ..... 0.354 PLAT480_ALERT_4_C Long H...A H-Bond Reported H3 .. SE2 .. 3.02 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H21 .. SE1 .. 3.06 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H17 .. SE2 .. 3.01 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 22
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 28.49 From the CIF: _reflns_number_total 5814 Count of symmetry unique reflns 3325 Completeness (_total/calc) 174.86% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2489 Fraction of Friedel pairs measured 0.749 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster