(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1595-m1596 [ doi:10.1107/S1600536804024675 ]

Dibromobis(methyldiphenylphosphine)nickel(II)

M. Zeller, S. J. DiMuzio and A. D. Hunter

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.022
wR factor = 0.057
Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.450     0.590
            Tmin and Tmax expected:      0.405     0.588
            RR =      1.106
            Please check that your absorption correction is appropriate.
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.27       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         13       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion