[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2005). E61, m1509-m1511  [ doi:10.1107/S1600536805021628 ]

N-H...S and N-H...O hydrogen bonding in tetra-n-butylammonium (imidazolidine-2-thione-2[kappa]S)dioxo-1[kappa]2O-di-[mu]-sulfido-1:2[kappa]4S:S-copper(I)tungstate(VI)

A. Beheshti, W. Clegg, S. H. Dale and A. Solimankhani

Online 9 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT301_ALERT_3_B Main Residue Disorder ......................... 28.00 Perc. PLAT731_ALERT_1_B Bond Calc 0.87(5), Rep 0.868(10) ...... 5.00 su-Rat N1 -H1 1.555 1.555 PLAT735_ALERT_1_B D-H Calc 0.87(5), Rep 0.868(10) ...... 5.00 su-Rat N1 -H1 1.555 1.555
Alert level C PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.77 mm PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 O1 -W -CU -S1 107.00 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4 O2 -W -CU -S1 -72.00 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 S2 -W -CU -S1 17.10 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 S3 -W -CU -S1 -162.90 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 W -CU -S1 -C1 147.50 0.90 1.555 1.555 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.87(3), Rep 0.867(10) ...... 3.00 su-Rat N2 -H2 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.87(3), Rep 0.867(10) ...... 3.00 su-Rat N2 -H2 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.66(5), Rep 2.66(2) ...... 2.50 su-Rat H1 -S3 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.86(3), Rep 1.866(13) ...... 2.31 su-Rat H2 -O2 1.555 2.745
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 0 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 6 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster