[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m640-m641
[ doi:10.1107/S1600536813029462 ]

Bis(2,2'-bipyridine)[1,9-bis(diphenylphos­phanyl)-1,2,3,4,6,7,8,9-octahydropyrim­ido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexa­fluorido­phosphate dibromide di­chloro­methane disolvate monohydrate

C. Shang, L. Vendier, P. Sutra and A. Igau


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 19 Why ?
Alert level C PLAT213_ALERT_2_C Atom C9 has ADP max/min Ratio ..... 3.2 prolat PLAT213_ALERT_2_C Atom C10 has ADP max/min Ratio ..... 3.2 prolat PLAT214_ALERT_2_C Atom Cl1 (Anion/Solvent) ADP max/min Ratio 4.4 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P4 Check PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of Cl4 Check PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C100 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.622 Check PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.60 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.57 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ru1 1.21 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 24.74 PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 13 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 3 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 11 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster