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Acta Cryst. (2005). E61, o2689-o2690  [ doi:10.1107/S1600536805022683 ]


J.-M. Jeckelmann, T. Lüthi Nyffeler, M. Altmann, H.-B. Bürgi, P. Renaud and J. Hauser

Online 23 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C31
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 27.87 From the CIF: _reflns_number_total 2912 Count of symmetry unique reflns 1946 Completeness (_total/calc) 149.64% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 966 Fraction of Friedel pairs measured 0.496 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 1 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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