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Acta Cryst. (2012). E68, m77-m78  [ doi:10.1107/S1600536811054195 ]

(2,2'-Bipyridine-4,4'-dicarboxylic acid-[kappa]2N,N')chlorido(2,2':6',2''-terpyridyl-[kappa]3N,N',N'')ruthenium(II) perchlorate ethanol monosolvate monohydrate

A. Nielsen, C. J. McKenzie and A. D. Bond

Online 23 December 2011


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checkCIF/PLATON results

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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H1S .. H2 .. 2.08 Ang. PLAT417_ALERT_2_B Short Inter D-H..H-D H1W .. H4 .. 2.05 Ang. PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 18 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT234_ALERT_4_C Large Hirshfeld Difference Cl2 -- O2D .. 0.24 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference Cl2 -- O2E .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference Cl2 -- O2G .. 0.16 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C2S PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of Cl2 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O2B PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O2F PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 42 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 21
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 9 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of O2E PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 56 Perc. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N4 -RU1 -N1 -C1 169.10 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 N4 -RU1 -N1 -C5 -9.80 1.40 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 CL1 -RU1 -N2 -C11 165.60 0.50 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 CL1 -RU1 -N2 -C7 -9.10 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 33 N1 -RU1 -N4 -C22 90.50 1.30 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38 N1 -RU1 -N4 -C18 -87.60 1.30 1.555 1.555 1.555 1.555 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 73
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 14 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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