[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m1-m2
[ doi:10.1107/S1600536812048246 ]

cis-Bis(2,2'-bipyridine-[kappa]2N,N')carbonylchloridoruthenium(II) hexafluoridophosphate

T. Takase, B. Mun and D. Oyama


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C21 .. 5.5 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
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 27.42 From the CIF: _reflns_number_total 5177 Count of symmetry unique reflns 2942 Completeness (_total/calc) 175.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2235 Fraction of Friedel pairs measured 0.760 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.220 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ru1 -- Cl1 .. 8.6 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ru1 -- C21 .. 5.5 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 11 Perc. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 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 4 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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