(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o2317 [ doi:10.1107/S1600536808036210 ]

The cocrystal 10-(2-methyl-4-phenyl-1H-inden-6-yl)-10H-phenothiazine-10-(2-methyl-7-phenyl-1H-inden-5-yl)-10H-phenothiazine (0.54/0.46)

M. V. Nikulin, A. Z. Voskoboynikov and K. Y. Suponitsky

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.045
wR factor = 0.105
Data-to-parameter ratio = 19.3

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   100.000
            Value of melting point given =     0.000
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          5      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         44      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         14      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   2 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
   2 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