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_7719163
_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         'C53 H70 N O P2 Rh, 2 (C4 H8 O)'
_chemical_formula_sum            'C61 H86 N O3 P2 Rh'
_chemical_formula_weight         1046.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-07-22 deposited with the CCDC.	2025-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 134.8850(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.3092(7)
_cell_length_b                   26.2531(7)
_cell_length_c                   20.7568(5)
_cell_measurement_reflns_used    87775
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      1.55
_cell_volume                     11316.2(5)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2012)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'ORTEP-3v2020.1 (Farrugia, 2020)'
_computing_publication_material  'SHELXL-2019/3 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE-IPDS II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            108230
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.274
_diffrn_reflns_theta_min         1.961
_exptl_absorpt_coefficient_mu    0.402
_exptl_absorpt_correction_T_max  0.8551
_exptl_absorpt_correction_T_min  0.7852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'LANA (Stoe & Cie, 2012)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_description       plate
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.895
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         15254
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0644P)^2^+5.2716P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1122
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11561
_reflns_number_total             15254
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01734c3.cif
_cod_data_source_block           KS1681_MesStar2_PNP_Rh_CO
_cod_depositor_comments
'Adding full bibliography for 7719162--7719167.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7719163
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.917
_shelx_estimated_absorpt_t_max   0.953
_shelx_res_checksum              8674
_shelx_hkl_checksum              89252
_shelx_fab_checksum              51485