Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes
Douthwaite, Richard E.; Green, Malcolm L. H.; Silcock, Peter J.; Gomes, Pedro T.; Organometallics 20 (2001) 2611–; doi:10.1021/om010139y

data_4077307
_publ_section_title
;
 Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2611
_journal_paper_doi               10.1021/om010139y
_journal_volume                  20
_journal_year                    2001
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C18 H32 N4 Ni1 '
_chemical_formula_sum            'C18 H32 N4 Ni'
_chemical_formula_weight         363.19
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.901(1)
_cell_length_b                   12.701(2)
_cell_length_c                   15.309(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    0
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1925.1(4)
_diffrn_ambient_temperature      180
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8876
_diffrn_reflns_theta_max         26.79
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.02
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' yellow '
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             785.16
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0313
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2200
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000445
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/( 0.0010*F +3.00 *\s^2^(F ) + 3.00 )
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0664
_reflns_limit_h_max              12
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                2200
_reflns_number_total             2276
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            om010139y.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic ' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

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        1925.1
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        ' C18 H32 N4 Ni1 '
_cod_database_code               4077307