[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1169
[ doi:10.1107/S160053681203471X ]


K. Ha

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT900_ALERT_1_A No Matching Reflection File Found .............. !
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.972 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0155 Ang PLAT925_ALERT_1_C The Reported and Calculated Rho(max) Differ by . 1.73 eA-3
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 26.04 From the CIF: _reflns_number_total 2931 Count of symmetry unique reflns 2075 Completeness (_total/calc) 141.25% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 856 Fraction of Friedel pairs measured 0.413 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... -0.037
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 2 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 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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