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Acta Cryst. (2005). E61, m1595-m1597  [ doi:10.1107/S1600536805022233 ]

Bis[2-(benzimidazol-2-yl)phenolato-[kappa]2N,O]zinc(II)-bis[5-amino-2-(benzimidazol-2-yl)phenolato-[kappa]2N,O]zinc(II)-ethanol-water (0.56/0.44/2/0.5)

Y.-P. Tong

Online 20 July 2005


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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H1W .. H5C .. 1.32 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C50 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C52 PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT417_ALERT_2_C Short Inter D-H..H-D H1W .. H2A .. 2.11 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 27.00 From the CIF: _reflns_number_total 5974 Count of symmetry unique reflns 3339 Completeness (_total/calc) 178.92% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2635 Fraction of Friedel pairs measured 0.789 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 6 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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

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