Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2
Annibale, Vincent T.; Song, Datong; Organometallics 33 (2014) 2776–; doi:10.1021/om500278a

data_4083338
_publ_section_title
;
 Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes
 with H2and CO2
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2776
_journal_paper_doi               10.1021/om500278a
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C88 H78 N2 O3 P4 Rh2'
_chemical_formula_weight         1541.22
_chemical_name_systematic
;
 ?
;
_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   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                75.822(3)
_cell_angle_beta                 84.103(3)
_cell_angle_gamma                79.322(3)
_cell_formula_units_Z            2
_cell_length_a                   11.4599(7)
_cell_length_b                   15.4442(10)
_cell_length_c                   21.9188(12)
_cell_measurement_reflns_used    63208
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.597
_cell_measurement_theta_min      1.812
_cell_volume                     3689.4(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_unetI/netI     0.0871
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            63208
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.597
_diffrn_reflns_theta_min         1.812
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex 2'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       plate
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.019
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     902
_refine_ls_number_reflns         16955
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+0.7616P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0970
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11325
_reflns_number_total             16955
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om500278a_si_002.cif
_cod_data_source_block           5(ether)
_cod_depositor_comments
'Adding full bibliography for 4083337--4083339.cif.'
_cod_database_code               4083338
_shelxl_version_number           2013-4
_shelx_res_checksum              20796
_shelx_hkl_checksum              11836