Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
Ito, Shigekazu; Yoshifuji, Masaaki; Chemical Communications  (2001) 1208–; doi:10.1039/b102810n

data_7114676
_publ_section_title
;
 Preparation of carbonyltungsten(0) complexes of
 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1208
_journal_paper_doi               10.1039/b102810n
_journal_year                    2001
_chemical_formula_moiety         'C35 H39 Cl O4 P2 W '
_chemical_formula_sum            'C35 H39 Cl O4 P2 W'
_chemical_formula_weight         804.94
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.687(2)
_cell_length_b                   21.984(3)
_cell_length_c                   9.310(3)
_cell_measurement_temperature    125.2
_cell_volume                     3415.3(13)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.9735
_diffrn_measured_fraction_theta_max 0.9735
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3318
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_exptl_absorpt_coefficient_mu    3.594
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.87
_refine_diff_density_min         -2.52
_refine_ls_abs_structure_Flack   0.51(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.274
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     389
_refine_ls_number_reflns         3132
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.2859
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1100
_reflns_number_gt                3132
_reflns_number_total             3309
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b102810n.txt
_cod_data_source_block           PCP
_cod_original_cell_volume        3415(1)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C35 H39 Cl O4 P2 W '
_cod_database_code               7114676