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_4077306
_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         ' C15 H28 N2 Ni1 P1 '
_chemical_formula_sum            'C15 H28 N2 Ni P'
_chemical_formula_weight         326.09
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 105.94(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   14.644(1)
_cell_length_b                   18.135(1)
_cell_length_c                   14.682(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    0
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3749.2(6)
_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  0.027
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5936
_diffrn_reflns_theta_max         26.34
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.11
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' yellow '
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             1403.04
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.72
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0254
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2291
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001064
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 3.10 0.218 2.32
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0490
_reflns_limit_h_max              17
_reflns_limit_h_min              -18
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                2291
_reflns_number_total             3642
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            om010139y.cif
_cod_data_source_block           (1)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic ' changed to 'monoclinic'
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        3749.1
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_original_formula_sum        ' C15 H28 N2 Ni1 P1 '
_cod_database_code               4077306