<i>cis</i>-1,1'-Dimethyl-3,3'-diphenyl-2,2'-biimidazolidinylidene
Ülkü, D.; Tahir, M. N.; Çetinkaya, B.; Özdemir, I.; Acta Crystallographica Section C 53 (1997) 240–241; doi:10.1107/S0108270196013121

data_2005912
_publ_section_title
;
 <i>cis</i>-1,1'-Dimethyl-3,3'-diphenyl-2,2'-biimidazolidinylidene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              240
_journal_page_last               241
_journal_paper_doi               10.1107/S0108270196013121
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C20 H24 N4'
_chemical_formula_sum            'C20 H24 N4'
_chemical_formula_weight         320.441
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for X-ray Crystallography (1974, Vol. IV)'
_cell_angle_alpha                111.352(12)
_cell_angle_beta                 91.970(14)
_cell_angle_gamma                108.781(11)
_cell_formula_units_Z            2
_cell_length_a                   8.4511(13)
_cell_length_b                   9.8471(16)
_cell_length_c                   12.2407(18)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.07
_cell_measurement_theta_min      16.48
_cell_volume                     884.8(3)
_computing_data_collection       'CAD-4 Express (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965) in MolEN'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM in MolEN'
_computing_structure_solution    'SIR in MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3481
_diffrn_reflns_theta_max         26.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.49
_refine_ls_hydrogen_treatment    'H atoms: see below'
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2020
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = [(threshold)/F^2^] if F >= (threshold); w = 0 if F^2^ < (cutoff).\sF^2^
(threshold = 93.03, cutoff = 4)
;
_refine_ls_wR_factor_obs         0.057
_reflns_number_observed          2020
_reflns_number_total             3147
_reflns_observed_criterion       'I > 3\s(I)'
_cod_data_source_file            bm1050.cif
_cod_data_source_block           2ma
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        884.9(6)
_cod_database_code               2005912