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[Contents scheme]

Acta Cryst. (2012). E68, m1372
[ doi:10.1107/S1600536812040081 ]

Bis(3-tert-butylpyridine-[kappa]N)bis(4-tert-butylpyridine-[kappa]N)bis(thiocyanato-[kappa]N)cadmium

T. Reinert, I. Jess and C. Näther


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that calculated from the cell parameter s.u.'s by > 2 Calculated cell volume su = 15.52 Cell volume su given = 13.00 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.960 PLAT213_ALERT_2_C Atom C28 has ADP max/min Ratio ..... 3.3 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.5 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C26 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 83 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.73 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.52 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 3 Units PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 98
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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