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Acta Cryst. (2012). E68, m87  [ doi:10.1107/S1600536811054134 ]

Bis([mu]-trimethylsilanolato-[kappa]2O:O)bis{[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato-[kappa]2N,O]zinc}

H. H. Lee, M. J. Go, K. H. Park, Y. Kim and J. Lee

Online 23 December 2011


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checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT213_ALERT_2_C Atom C15A has ADP max/min Ratio ..... 3.3 prola PLAT213_ALERT_2_C Atom C22A has ADP max/min Ratio ..... 3.8 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.6 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.3 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 11 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 83 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C18A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C21A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 28 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact C10 .. C14A .. 3.08 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact C11 .. C14A .. 2.58 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact C13 .. C14A .. 1.77 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact C14A .. C15A .. 2.46 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact C14A .. C16A .. 2.53 Ang. PLAT773_ALERT_2_G Check long C-C Bond in CIF: C13 -- C14A . 1.77 Ang. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C H3 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 18
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 17 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 16 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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