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Acta Cryst. (2006). E62, m2670-m2672  [ doi:10.1107/S1600536806037925 ]

catena-Poly[[[(4-aminobenzoato-[kappa]N)aqua(2,2'-diamino-4,4'-bithiazole-[kappa]2N,N')nickel(II)]-[mu]-4-aminobenzoato-[kappa]2N:O] monohydrate]

B.-X. Liu and D.-J. Xu

Online 22 September 2006

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Alert level C PLAT030_ALERT_1_C _diffrn_reflns_number .LE. _reflns_number_total ? PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... NI PLAT322_ALERT_2_C Check Hybridisation of S1 in Main Residue . ? PLAT322_ALERT_2_C Check Hybridisation of S2 in Main Residue . ? PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C11 - C12 ... 1.53 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6A ... ?
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 25.00 From the CIF: _reflns_number_total 3891 Count of symmetry unique reflns 2158 Completeness (_total/calc) 180.31% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1733 Fraction of Friedel pairs measured 0.803 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 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 4 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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