[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1333
[ doi:10.1107/S1600536812041128 ]

Trans-bis(3-tert-butylpyridine-[kappa]N)bis(4-tert-butylpyridine-[kappa]N)bis(thiocyanato-[kappa]N)manganese(II)

T. Reinert, I. Jess and C. Näther


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT213_ALERT_2_C Atom C28 has ADP max/min Ratio ..... 3.2 prola PLAT213_ALERT_2_C Atom C29' has ADP max/min Ratio ..... 3.5 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 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 C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C26 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.489 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 123 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 11
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 .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00900 Deg. PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 84 C29' -C26 -C27 1.555 1.555 1.555 44.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 94 C28 -C26 -C27' 1.555 1.555 1.555 42.70 Deg. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 16
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 8 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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