[Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids.
Bartosik, Joanna; Mudring, Anja-Verena; Physical chemistry chemical physics : PCCP 12 (2010) 4005–4011; doi:10.1039/b920530f

data_7212137
_publ_section_title
;
 [Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids.
;
_journal_issue                   16
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              4005
_journal_page_last               4011
_journal_paper_doi               10.1039/b920530f
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C24 H20 B, C11 H23 N2 Ni O2'
_chemical_formula_sum            'C35 H43 B N2 Ni O2'
_chemical_formula_weight         593.23
_chemical_name_common            '[Ni(tmen)(acac)][B(Ph)4]'
_chemical_name_systematic
; 
 Nickel(II)tetramethylethylenediaminacetylacetonate tetraphenyloborate 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.834(3)
_cell_length_b                   12.107(2)
_cell_length_c                   17.066(3)
_cell_measurement_reflns_used    1645
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      56.3
_cell_measurement_theta_min      3.8
_cell_volume                     3161.8(12)
_computing_cell_refinement       'X-Area, STOE'
_computing_data_collection       'X-Area, STOE'
_computing_data_reduction        X-Red
_computing_molecular_graphics    'Diamond 2.0'
_computing_publication_material  'SHELXTL, Bruker'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'IPDS I, STOE'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1452
_diffrn_reflns_av_sigmaI/netI    0.1892
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29727
_diffrn_reflns_theta_full        28.19
_diffrn_reflns_theta_max         28.19
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'X-Shape, STOE'
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.296
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.752
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7661
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.752
_refine_ls_R_factor_all          0.1680
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0958
_reflns_number_gt                2835
_reflns_number_total             7661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b920530f.txt
_cod_data_source_block           1
_cod_original_cell_volume        3161.8(11)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7212137