Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.
Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko; Journal of the American Chemical Society 137 (2015) 11222–11225; doi:10.1021/jacs.5b06237

data_4129453
_publ_section_title
;
 Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis
 Acidic Rh(III) Ion Induced by C-H Deprotonation.
;
_journal_issue                   35
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11222
_journal_page_last               11225
_journal_paper_doi               10.1021/jacs.5b06237
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C38 H39 Cl4 F12 N8 P2 Rh2'
_chemical_formula_weight         1245.33
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_space_group_name_Hall           '-I 4ad'
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_cell_length_a                   24.114(6)
_cell_length_b                   24.114(6)
_cell_length_c                   31.267(8)
_cell_measurement_temperature    120(2)
_cell_volume                     18181(8)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'APEX2 v2009.11-0'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
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_diffrn_reflns_limit_k_min       -20
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_diffrn_reflns_number            52446
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.683
_diffrn_reflns_theta_min         1.066
_exptl_absorpt_coefficient_mu    1.122
_exptl_crystal_colour            pale-yellow
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             9904
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     714
_refine_ls_number_reflns         11001
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+99.2602P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            '[RhCl2(a-MeTPA)](PF6).cif'
_cod_data_source_block           Sugi6
_cod_original_cell_volume        18181(10)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4129453
_shelx_estimated_absorpt_t_min   0.799
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_shelx_res_checksum              82482
_shelx_hkl_checksum              38837