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Acta Cryst. (2008). E64, m667  [ doi:10.1107/S1600536808009574 ]


A. L. Hector, W. Levason, G. Reid, S. D. Reid and M. Webster

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checkCIF/PLATON results

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Alert level B PLAT213_ALERT_2_B Atom C1 has ADP max/min Ratio ............. 4.30 prola PLAT213_ALERT_2_B Atom C5 has ADP max/min Ratio ............. 4.20 prola PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for Zr1
Alert level C PLAT213_ALERT_2_C Atom C4 has ADP max/min Ratio ............. 3.50 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.05 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 11
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.51 From the CIF: _reflns_number_total 3046 Count of symmetry unique reflns 1641 Completeness (_total/calc) 185.62% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1405 Fraction of Friedel pairs measured 0.856 Are heavy atom types Z>Si present yes PLAT033_ALERT_2_G Flack Parameter Value Deviates from zero ....... 0.14 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 0 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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