{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-κ<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-κ<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κ<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate
Selent, Detlef; Spannenberg, Anke; Börner, Armin; IUCrData 1 (2016) x161914–; doi:10.1107/S2414314616019143

data_1544764
_publ_section_title
;
 {2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-\k<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-\k<i>C</i>^1^}{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-\k<i>P</i>]biphenyl}rhodium(I)
 toluene-<i>d</i>~8~ 2.7-solvate
;
_journal_coeditor_code           RZ4007
_journal_issue                   12
_journal_name_full               IUCrData
_journal_page_first              x161914
_journal_paper_doi               10.1107/S2414314616019143
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac
'[Rh (C42 H62 O3 P) (C74 H68 O4 P2)], 2.7C7 D8 '
_chemical_formula_moiety         'C116 H130 O11 P3 Rh, 2.7(C7 H8)'
_chemical_formula_sum            'C134.9 H151.6 O11 P3 Rh'
_chemical_formula_weight         2144.77
_chemical_name_systematic
'{2-[Bis(2,4-di-<i>tert</i>-butylphenoxy)phosphanyloxy-\k<i>P</i>]-3,5-di-<i>tert</i>-butylphenyl-\k<i>C</i>^1^}{3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-\k<i>P</i>]biphenyl}rhodium(I) toluene-<i>d</i>~8~ 2.7-solvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 93.4633(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4222(5)
_cell_length_b                   27.9355(9)
_cell_length_c                   26.9314(9)
_cell_measurement_reflns_used    9302
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.92
_cell_measurement_theta_min      2.56
_cell_volume                     11581.6(7)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            272267
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.458
_exptl_absorpt_coefficient_mu    0.249
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_description       prism
_exptl_crystal_F_000             4556
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.206
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.353
_refine_diff_density_min         -0.632
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1372
_refine_ls_number_reflns         27950
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0428
_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^)+(0.0583P)^2^+12.2120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1200
_reflns_number_gt                23070
_reflns_number_total             27950
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            rz4007sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C134.90 H151.60 O11 P3 Rh'
_cod_database_code               1544764
_shelx_hkl_checksum              58766
_shelx_res_checksum              22708
_cod_database_fobs_code 1544764