(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, m785-m786 [ doi:10.1107/S160053680700726X ]

fac,cis-Bromidotricarbonylbis(tribenzylphosphine)rhenium(I)

M. A. Beckett, M. E. Light, D. S. Brassington and M. Thornton-Pett

Online 16 February 2007

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.020
wR factor = 0.049
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95      
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.22 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.20 Ratio

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     -   C1      ..       6.28 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     -   C8      ..       5.34 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re1    -   Br1     ..       8.51 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re1    -   C1      ..       8.90 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re1    -   C2      ..       8.55 su   

   0 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
   7 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
   6 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check