[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1432
[ doi:10.1107/S1600536812044273 ]

(2-Aminoethanethiolato-[kappa]2N,S)bis[1,2-bis(diphenylphosphanyl)ethane-[kappa]2P,P']ruthenium(II) hexafluoridophosphate

A. Igashira-Kamiyama, M. Tamura and T. Konno


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 3
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P5 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0087 Ang PLAT410_ALERT_2_C Short Intra H...H Contact H31 .. H35 .. 1.96 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1 ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1 - H2 ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 72 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 27.46 From the CIF: _reflns_number_total 9513 Count of symmetry unique reflns 5548 Completeness (_total/calc) 171.47% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3965 Fraction of Friedel pairs measured 0.715 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of F9 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of F14 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of F15 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 86 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4 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 1 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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

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