(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o955-o956 [ doi:10.1107/S1600536805007002 ]

2-(4-Bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole

C. B. Nielsen, M. Pittelkow and H. O. Sørensen

Online 18 March 2005

Key indicators

Single-crystal X-ray study
T = 122 K
Mean (C-C) = 0.002 Å
R factor = 0.024
wR factor = 0.057
Data-to-parameter ratio = 22.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT147_ALERT_1_C su on Symmetry Constrained Cell Angle(s) .......          ?

Alert level G
ABSTY01_ALERT_1_G  Extra text has been found in the _exptl_absorpt_correction_type
            field, which should be only a single keyword. A literature
            citation should be included in the _exptl_absorpt_process_details
            field.
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           31.00
           From the CIF: _reflns_number_total               5137
           Count of symmetry unique reflns         2723
           Completeness (_total/calc)            188.65%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2414
           Fraction of Friedel pairs measured     0.887
           Are heavy atom types Z>Si present          yes

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