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Acta Cryst. (2012). E68, m1486-m1487
[ doi:10.1107/S1600536812046065 ]

[(R)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-[kappa]2P,P']{2-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-[kappa]C1}hydridoruthenium(II) benzene monosolvate

K. Abdur-Rashid and A. J. Lough


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.5 Ratio PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of C2S PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C6S PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.5 PLAT352_ALERT_3_C Short N-H Bond (0.87A) N2 - H2B ... 0.76 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2B ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 13 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 81 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 11534 Count of symmetry unique reflns 6653 Completeness (_total/calc) 173.37% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 4881 Fraction of Friedel pairs measured 0.734 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 .. -0.045 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 7 PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 20
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 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 5 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 8 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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