[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1448-m1449
[ doi:10.1107/S1600536812044698 ]

Trichlorido(5,5'-dimethyl-2,2'-bipyridine-[kappa]2N,N')(dimethylformamide-[kappa]O)indium(III) hemihydrate

S. A. Shirvan, S. Haydari Dezfuli, F. Khazali, M. Aghajeri and A. Borsalani


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N6 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.137 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 36 PLAT976_ALERT_2_C Negative Residual Density at 0.65A from O3 . -0.53 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.65A from O3 . -0.51 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.60A from O3 . -0.48 eA-3
Alert level G 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 ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C18 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C29 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 96 C28 -O2 -IN2 -CL4 168.40 0.50 1.555 1.555 1.555 1.555 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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