[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3073
[ doi:10.1107/S160053681204007X ]

Diphenyl(pyridin-2-yl)phosphane selenide

W. L. Davis and A. Muller


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.967 PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. SE1 .. 3.07 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H16 .. SE1 .. 3.26 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 52 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 4 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 89 Perc.
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 66.62 From the CIF: _reflns_number_total 2501 Count of symmetry unique reflns 1561 Completeness (_total/calc) 160.22% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 940 Fraction of Friedel pairs measured 0.602 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 95 Perc. PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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