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Acta Cryst. (2005). E61, o1757-o1759  [ doi:10.1107/S1600536805015059 ]


B. Nagaraj, H. S. Yathirajan and D. E. Lynch

Online 14 May 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT230_ALERT_2_C Hirshfeld Test Diff for O10A - C10A .. 5.75 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O10A - C16A .. 5.80 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O10D - C16D .. 5.98 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O10F - C16F .. 5.59 su PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT420_ALERT_2_C D-H Without Acceptor N5A - H5A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5B - H5B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5C - H5C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5D - H5D ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5E - H5E ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5F - H5F ... ?
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 8443 Count of symmetry unique reflns 8637 Completeness (_total/calc) 97.75% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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

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