Acta Cryst. (2005). E61, m1138-m1139  [ doi:10.1107/S1600536805012869 ]

Tetraethylammonium bis(benzene-1,2-dithiolato)(2-disulfanylbenzenethiolato)niobate

P. A. Petrov, N. V. Kuratieva, D. Y. Naumov and S. N. Konchenko

Online 21 May 2005

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.004 Å
• R factor = 0.031
• wR factor = 0.082
• Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.86       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT223_ALERT_4_C Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       3.47 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nb1    -   S11     ..       8.42 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nb1    -   S22     ..       5.59 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nb1    -   S31     ..       5.06 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nb1    -   S32     ..       6.19 su    
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         C2     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.08       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

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