Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.
Bugenhagen, B. E. C.; Prosenc, M. H.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7460–7468; doi:10.1039/c5dt04612b

data_7038828
_publ_section_title
;
 Direct C-C coupling of two Ni-salphen complexes to yield
 dinickel-disalphen complexes with symmetric and non-symmetric
 substitution-patterns.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7460
_journal_page_last               7468
_journal_paper_doi               10.1039/c5dt04612b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C48 H42 N4 Ni2 O4, 2(C5 H5 N), C6 H6'
_chemical_formula_sum            'C64 H58 N6 Ni2 O4'
_chemical_formula_weight         1092.58
_chemical_name_common            tBu-Ni-tBu-Ni-Bip
_chemical_name_systematic        tBu-Ni-tBu-Ni-Bip
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-03-13 deposited with the CCDC.
2016-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.66
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.4203(2)
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_cell_measurement_temperature    100.15
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_cell_measurement_theta_min      2.217
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_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            66118
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.955
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_diffrn_reflns_theta_max         33.736
_diffrn_reflns_theta_min         2.071
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_exptl_absorpt_coefficient_mu    0.785
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2013/2 (Bruker,2013) was used for absorption correction.
wR2(int) was 0.0865 before and 0.0498 after correction.
The Ratio of minimum to maximum transmission is 0.9259.
The \l/2 correction factor is 0.0000.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.402
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'Re-crystallisation from solvent: pyridine'
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_exptl_crystal_size_min          0.052
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_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         9902
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0483P)^2^+1.5420P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1092
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7237
_reflns_number_total             9902
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           work
_cod_depositor_comments
'Adding full bibliography for 7038824--7038828.cif.'
_cod_original_cell_volume        2588.55(6)
_cod_database_code               7038828
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_shelx_res_checksum              37868