Hydrodebromination of allylic and benzylic bromides with water catalyzed by a rhodium porphyrin complex.
Yang, Wu; Chen, Chen; Chan, Kin Shing; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12879–12883; doi:10.1039/c8dt02168f

data_7047280
_publ_section_title
;
 Hydrodebromination of allylic and benzylic bromides with water catalyzed
 by a rhodium porphyrin complex.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12879
_journal_page_last               12883
_journal_paper_doi               10.1039/c8dt02168f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C58.5 H48.5 N4 Rh'
_chemical_formula_weight         910.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2018-07-16 deposited with the CCDC.
2018-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                112.876(4)
_cell_angle_beta                 91.885(4)
_cell_angle_gamma                112.174(4)
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_cell_length_b                   14.419(2)
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_cell_measurement_temperature    222(2)
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_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
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_computing_data_reduction        'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      222(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1059
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    0.405
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_exptl_absorpt_correction_T_min  0.5655
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1643P)^2^+9.5519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2507
_refine_ls_wR_factor_ref         0.2743
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6046
_reflns_number_total             8476
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02168f2.cif
_cod_data_source_block           WY313(low)
_cod_depositor_comments
'Adding full bibliography for 7047279--7047280.cif.'
_cod_original_cell_volume        2356.3(6)
_cod_original_formula_sum        'C58.50 H48.50 N4 Rh'
_cod_database_code               7047280
_shelx_estimated_absorpt_t_min   0.823
_shelx_estimated_absorpt_t_max   0.888
_shelxl_version_number           2014/6
_shelx_res_checksum              15073