New ternary ligands consisting of an N4 bridging ligand and two terpyridines, and their Co(ii) and Ni(ii) dinuclear complexes. Structure, redox properties, and reaction with acid.
Kon, Hiroki; Nagata, Toshi; Dalton transactions (Cambridge, England : 2003) 42 (2013) 5697–5705; doi:10.1039/c3dt33011g

data_7021229
_publ_section_title
;
 New ternary ligands consisting of an N4 bridging ligand and two
 terpyridines, and their Co(ii) and Ni(ii) dinuclear complexes. Structure,
 redox properties, and reaction with acid.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5697
_journal_page_last               5705
_journal_paper_doi               10.1039/c3dt33011g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'C70 H56 Cl N12 Ni2 O4, 3(F6 P), 4(C7 H8), 2(C3 H6 O)'
_chemical_formula_sum            'C104 H100 Cl F18 N12 Ni2 O6 P3'
_chemical_formula_weight         2201.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 101.727(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.106(3)
_cell_length_b                   27.459(4)
_cell_length_c                   21.567(3)
_cell_measurement_reflns_used    12121
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.03
_cell_volume                     9919(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38445
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'yellow brown'
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4544
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         11155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0500
_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^)+(0.0536P)^2^+13.7305P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1273
_reflns_number_gt                9234
_reflns_number_total             11155
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3dt33011g.txt
_cod_data_source_block           Ni-1
_cod_original_cell_volume        9919(2)
_cod_database_code               7021229