Syntheses of new P‒N ligands containing an imidazolyl group and their co-ordination behaviors toward nickel(II), cobalt-(II) and -(III)
Jalil, M. Abdul; Fujinami, Shuhei; Senda, Hitoshi; Nishikawa, Hiroaki; Journal of the Chemical Society, Dalton Transactions  (1999) 1655–; doi:10.1039/a900450e

data_7027260
_publ_contact_author
;
Hiroaki Nishikawa
Department of Chemistry, Faculty of Science, Kanazawa University,
Kakuma machi, Kanazawa 920-1192, Japan
;
_publ_section_title
;
 Syntheses of new P--N ligands containing an imidazolyl group and their
 co-ordination behaviors toward nickel(II), cobalt-(II) and -(III)
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1655
_journal_paper_doi               10.1039/a900450e
_journal_year                    1999
_chemical_formula_sum            'C24 H45 B2 F8 N5 Ni P2'
_chemical_formula_weight         697.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Jan 22 17:28:35 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.70(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.688(8)
_cell_length_b                   9.975(2)
_cell_length_c                   17.100(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     3413.3(18)
_computing_cell_refinement       'Rigaku AFC7R diffractometer'
_computing_data_collection       'Rigaku RAXIS-IV imaging plate'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      296.0
_diffrn_measurement_device       'Rigaku RAXISIV'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.213
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4293
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rhombohedral
_exptl_crystal_F_000             1456.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.194
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     364
_refine_ls_number_reflns         1878
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0590
_refine_ls_shift/esd_max         0.0060
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00078|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0715
_reflns_number_observed          1878
_reflns_number_total             4293
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            900450esup1.cif
_cod_data_source_block           '[Ni(PNII)2](BF4)2.CH3CN'
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00078|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00078|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3413(1)
_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_original_formula_sum        'C24 H45 B2 F8 N5 Ni P2 '
_cod_database_code               7027260