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Acta Cryst. (2005). E61, m1531-m1533  [ doi:10.1107/S1600536805021501 ]

Tris(ethylenediamine)cobalt(III) nonaiododibismuthate

A. M. Goforth, R. E. Hipp, M. D. Smith, L. Peterson and H.-C. zur Loye

Online 13 July 2005


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Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 2 PLAT301_ALERT_3_B Main Residue Disorder ......................... 28.00 Perc. PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ... 30
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.206 0.423 Tmin and Tmax expected: 0.140 0.423 RR = 1.466 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.49 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 24
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 26.39 From the CIF: _reflns_number_total 3216 Count of symmetry unique reflns 1680 Completeness (_total/calc) 191.43% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1536 Fraction of Friedel pairs measured 0.914 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 4 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

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