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Acta Cryst. (2005). E61, o245-o246  [ doi:10.1107/S1600536804033951 ]


H. S. Yathirajan, K. M. L. Rai, S. L. Gaonkar, R. S. Narasegowda, B. Prabhuswamy and M. Bolte

Online 8 January 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for S3 - C4 .. 8.94 su
Alert level C PLAT432_ALERT_2_C Short Inter X...Y Contact O141 .. C5 .. 2.98 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O141 .. C4 .. 3.01 Ang.
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 26.23 From the CIF: _reflns_number_total 2109 Count of symmetry unique reflns 1147 Completeness (_total/calc) 183.87% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 962 Fraction of Friedel pairs measured 0.839 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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