Base-Promoted Vinyl Carbon‒Bromine Bond Cleavage by Group 9 Metalloporphyrin Complexes
Wong, Ka Lai; Chen, Chen; Chan, Kin Shing; Organometallics 35 (2016) 1847–; doi:10.1021/acs.organomet.6b00228

data_4086499
_publ_section_title
;
 Base-Promoted Vinyl Carbon--Bromine Bond Cleavage by Group 9
 Metalloporphyrin Complexes
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              1847
_journal_paper_doi               10.1021/acs.organomet.6b00228
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C56 H43 N4 Rh'
_chemical_formula_weight         874.85
_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
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_cell_angle_gamma                100.969(2)
_cell_formula_units_Z            2
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_cell_length_b                   13.7595(6)
_cell_length_c                   14.0517(6)
_cell_measurement_reflns_used    1710
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      15
_cell_volume                     2333.57(18)
_computing_cell_refinement       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
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_computing_molecular_graphics    'BRUKER SHELXTL'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.247
_diffrn_reflns_theta_min         1.518
_exptl_absorpt_coefficient_mu    0.406
_exptl_absorpt_correction_T_max  0.745624
_exptl_absorpt_correction_T_min  0.663136
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.488
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_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         8366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1151
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1733P)^2^+0.7675P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           klw1
_cod_depositor_comments          'Adding full bibliography for 4086499.cif.'
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