Coordination and C-H activation of an amidobis(phosphaalkene) ligand at rhodium(I).
Kushik, ?; Rippke, Mirko; Drexler, Hans-Joachim; Dankert, Fabian; Hering-Junghans, Christian; Beweries, Torsten; Dalton transactions (Cambridge, England : 2003) 54 (2025) 12913–12918; doi:10.1039/d5dt01734c

data_7719164
_publ_section_title
;
 Coordination and C-H activation of an amidobis(phosphaalkene) ligand at
 rhodium(I).
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12913
_journal_page_last               12918
_journal_paper_doi               10.1039/d5dt01734c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C60 H82 Cl N P2 Rh2, C4 H8 O [+ PENTANE]'
_chemical_formula_sum            'C64 H90 Cl N O P2 Rh2'
_chemical_formula_weight         1192.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-05-14 deposited with the CCDC.	2025-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                91.115(2)
_cell_angle_beta                 90.096(2)
_cell_angle_gamma                99.858(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4797(7)
_cell_length_b                   13.6732(9)
_cell_length_c                   21.5306(14)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.13
_cell_measurement_theta_min      2.18
_cell_volume                     3039.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11428
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.512
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_description       rod
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.368
_exptl_crystal_size_mid          0.181
_exptl_crystal_size_min          0.104
_refine_diff_density_max         2.205
_refine_diff_density_min         -1.326
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11428
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0849P)^2^+19.9699P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1656
_refine_ls_wR_factor_ref         0.1839
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9308
_reflns_number_total             11428
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01734c3.cif
_cod_data_source_block           ax2634twin5_sq_cmpd4
_cod_depositor_comments
'Adding full bibliography for 7719162--7719167.cif.'
_cod_database_code               7719164
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.788
_shelx_estimated_absorpt_t_max   0.933
_shelx_res_checksum              18971
_shelx_hkl_checksum              42667
_shelx_fab_checksum              53370