Acta Cryst. (2006). E62, m3475-m3476  [ doi:10.1107/S1600536806048732 ]

Tris(O-isobutyl dithiocarbonato-²S,S')(1,10-phenanthroline)bismuth(III)

F. Li, X.-X. Pan, H.-D. Yin, J. Zhai and D. Wang

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.015 Å
• Disorder in main residue
• R factor = 0.045
• wR factor = 0.119
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.74      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.59 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S6     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Bi1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15      
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H5A    ..  H4B     ..       1.84 Ang. 
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H5C    ..  H4C     ..       1.86 Ang. 
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      33.00 A   3 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.742
            Tmax scaled      0.251 Tmin scaled      0.243

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster