[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m605-m606
[ doi:10.1107/S1600536812015565 ]

cis-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2[lambda]5-dioxaphospholan-2-yloxy)butan-2-olato-[kappa]2O,P]oxido(triphenylphosphane-[kappa]P)rhenium(V)

A. Skarzynska, M. Siczek and A. Gniewek

Online 18 April 2012


Key indicators

checkCIF/PLATON results

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Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 32 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H31B .. CL2 .. 2.86 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H42B .. CL1 .. 2.87 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H51B .. CL1 .. 2.85 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H65 .. CL2 .. 2.91 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 109 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 88 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 30.00 From the CIF: _reflns_number_total 8614 Count of symmetry unique reflns 5151 Completeness (_total/calc) 167.23% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3463 Fraction of Friedel pairs measured 0.672 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 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 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 5 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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