(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m296-m298 [ doi:10.1107/S1600536805000656 ]

1,1,3,3-Tetraphenyl-1,2,3-triphosphenium tetrachloroaluminate dichloromethane solvate

R. M. K. Deng, K. B. Dillon, A. E. Goeta and A. L. Thompson

Online 15 January 2005

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R factor = 0.029
wR factor = 0.075
Data-to-parameter ratio = 23.5

checkCIF/PLATON results

No syntax errors found




Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      1.418
            Test value =      1.275
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       1.42 e/A   3
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         10 Ang.  
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C1S     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A    ..  CL4     ..       2.89 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A    ..  CL3     ..       2.90 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B    ..  CL4     ..       2.90 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H36    ..  CL1     ..       2.85 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1#    ..  CL1     ..       2.85 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 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
   2 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
   8 ALERT type 4 Improvement, methodology, query or suggestion