(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2484-o2485 [ doi:10.1107/S1600536805021264 ]

(R)-2,2'-Bis(diphenylphosphino)-6,6'-bis(tridecafluoro-n-hexyl)-1,1'-binaphthyl

J. Fawcett, E. G. Hope, A. M. Stuart and A. J. West

Online 9 July 2005

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.058
wR factor = 0.174
Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level B
DIFMX01_ALERT_2_B  The maximum difference density is > 0.1*ZMAX*1.00
            _refine_diff_density_max given =      2.636
            Test value =      1.500
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....       6.17       
PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............       2.64 e/A   3

Alert level C
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.99       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16     

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