Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.
Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 1082–1095; doi:10.1039/c3dt52400k

data_7028597
_publ_section_title
;
 Bisamino(diphosphonite) with dangling olefin functionalities: synthesis,
 metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in
 hydroformylation and Suzuki-Miyaura reactions.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1082
_journal_page_last               1095
_journal_paper_doi               10.1039/c3dt52400k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C86 H88 Br4 Cu4 N6 O8 P4'
_chemical_formula_sum            'C86 H88 Br4 Cu4 N6 O8 P4'
_chemical_formula_weight         2031.30
_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   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                68.746(3)
_cell_angle_beta                 73.126(2)
_cell_angle_gamma                82.826(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2115(19)
_cell_length_b                   13.988(3)
_cell_length_c                   16.974(4)
_cell_measurement_reflns_used    5777
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.278
_cell_measurement_theta_min      2.349
_cell_volume                     2161.8(8)
_computing_cell_refinement       'Bruker SAINT (Bruker AXS 2009a)'
_computing_data_collection       'Bruker APEX2 (Bruker AXS, 2009)'
_computing_data_reduction        'Bruker SAINT (Bruker AXS 2009a)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker AXS 2008)'
_computing_publication_material  'Bruker SHELXTL(Bruker AXS 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26101
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.323
_diffrn_reflns_theta_min         1.335
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.950
_exptl_absorpt_correction_T_max  0.9089
_exptl_absorpt_correction_T_min  0.5300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.118
_exptl_crystal_size_min          0.033
_exptl_transmission_factor_max   0.431
_exptl_transmission_factor_min   0.251
_refine_diff_density_max         0.996
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9728
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0454
_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^)+(0.0570P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1137
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7167
_reflns_number_total             9728
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3dt52400k.txt
_cod_data_source_block           msb443_1m
_cod_original_cell_volume        2161.8(7)
_cod_database_code               7028597
_shelx_estimated_absorpt_t_min   0.545
_shelx_estimated_absorpt_t_max   0.909
_shelxl_version_number           2013-3
_shelx_res_checksum              71653
_shelx_hkl_checksum              98837