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_7114677
_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         'C36 H39 Cl O5 P2 W '
_chemical_formula_sum            'C36 H39 Cl O5 P2 W'
_chemical_formula_weight         832.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.920(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.062(5)
_cell_length_b                   25.244(3)
_cell_length_c                   13.845(2)
_cell_measurement_temperature    120.2
_cell_volume                     3508.5(19)
_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 0.9396
_diffrn_measured_fraction_theta_max 0.9396
_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  0.051
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5861
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_exptl_absorpt_coefficient_mu    3.504
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.24
_refine_diff_density_min         -1.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     562
_refine_ls_number_reflns         5809
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.0085
_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         0.0734
_reflns_number_gt                5487
_reflns_number_total             5819
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b102810n.txt
_cod_data_source_block           PCPW
_cod_original_cell_volume        3508(1)
_cod_original_formula_sum        'C36 H39 Cl O5 P2 W '
_cod_database_code               7114677