Acta Cryst. (2004). E60, m204-m206  [ doi:10.1107/S1600536804001175 ]

A second tetragonal polymorph of bis(tetra-n-butylammonium) tetrakis[chloro(₃-sulfido)copper(I)]molybdate(VI)

N. R. Brooks, W. Clegg, M. H. Sadr, M. Esm-Hosseini and R. Yavari

Online 23 January 2004

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.003 Å
• R factor = 0.024
• wR factor = 0.058
• Data-to-parameter ratio = 23.5

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR) is > 1.50
            Tmin and Tmax reported:      0.701     0.876
            Tmin and Tmax expected:      0.363     0.876
            RR =      1.932
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_B Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.94       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................      10.00 Perc. 

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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