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Acta Cryst. (2008). E64, m320-m321  [ doi:10.1107/S160053680706850X ]


H. Aghabozorg, E. Motyeian, R. Khadivi, M. Ghadermazi and F. Manteghi

Key indicators

checkCIF/PLATON results

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Alert level C PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.850(19) ...... 2.11 su-Ra O1W -H1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.88(4), Rep 0.869(19) ...... 2.11 su-Ra O1W -H2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.86(4), Rep 0.858(19) ...... 2.11 su-Ra O3W -H5 1.555 1.555 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.11 Ratio
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 27.48 From the CIF: _reflns_number_total 2255 Count of symmetry unique reflns 1213 Completeness (_total/calc) 185.90% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1042 Fraction of Friedel pairs measured 0.859 Are heavy atom types Z>Si present yes PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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