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Acta Cryst. (2008). E64, m300-m301  [ doi:10.1107/S1600536807068407 ]


P. Ramesh, A. SubbiahPandi, P. Jothi, C. Revathi and A. Dayalan

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checkCIF/PLATON results

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Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Co - Cl2 .. 10.54 su
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT128_ALERT_4_C Non-standard setting of Space-group Pc .... Pn PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co - Cl1 .. 7.22 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co - N3 .. 5.67 su
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 37.24 From the CIF: _reflns_number_total 5284 Count of symmetry unique reflns 3517 Completeness (_total/calc) 150.24% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1767 Fraction of Friedel pairs measured 0.502 Are heavy atom types Z>Si present yes PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 3 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 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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