First η1-ligated 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene complexes and the remarkable trihydration reaction of trans-[PtCl2(PMe3)(P3C3But3)] to cis-[PtCl(PMe3)(P3O3C3H5But3)], containing the novel CH(But)PH(O)C(But)PH(O)CH(But)P(O) ring system
Clendenning, Scott B.; Hitchcock, Peter B.; Nixon, John F.; Chemical Communications  (1999) 1377–; doi:10.1039/a903745d

data_7110585
_publ_section_title
;
 First \h1-ligated 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene complexes
 and the remarkable trihydration reaction of trans-[PtCl2(PMe3)(P3C3But3)]
 to cis-[PtCl(PMe3)(P3O3C3H5But3)], containing the novel
 CH(But)PH(O)C(But)PH(O)CH(But)P(O) ring system
;
_journal_issue                   15
_journal_name_full               'Chemical Communications'
_journal_page_first              1377
_journal_paper_doi               10.1039/a903745d
_journal_year                    1999
_chemical_formula_sum            'C20.5 H46 Cl6 O3 P4 Pt'
_chemical_formula_weight         872.24
_chemical_name_common            '[PtCl(PMe3)(C15H32O3P3)].2.5(CH2Cl2)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.508(9)
_cell_length_b                   15.924(9)
_cell_length_c                   29.018(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     6704(6)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_molecular_graphics    'CAMERON (Watkin and Pearce,1993)'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_method       \w--2\q
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2428
_diffrn_reflns_theta_full        22.94
_diffrn_reflns_theta_max         22.94
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.877
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.37
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.651
_refine_diff_density_min         -5.303
_refine_diff_density_rms         0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2428
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1200P)^2^+238.8816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1957
_refine_ls_wR_factor_ref         0.2088
_reflns_number_gt                1951
_reflns_number_total             2428
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            903745dsup1.cif
_cod_data_source_block           mar299
_cod_original_sg_symbol_H-M      Cmca
_cod_original_formula_sum        'C20.50 H46 Cl6 O3 P4 Pt'
_cod_database_code               7110585