Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes
Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio; Acta Crystallographica Section C 55 (1999) 182–186; doi:10.1107/S0108270198012414

data_2008175
_publ_section_title
;
 Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0),
 -molybdenum(0) and -tungsten(0) complexes
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              182
_journal_page_last               186
_journal_paper_doi               10.1107/S0108270198012414
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[W (C11 H27 P3) (C O)3]'
_chemical_formula_moiety         'C14 H27 O3 P3 W'
_chemical_formula_sum            'C14 H27 O3 P3 W'
_chemical_formula_weight         520.14
_chemical_name_systematic
Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]tungsten(0)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5660(10)
_cell_length_b                   16.281(2)
_cell_length_c                   14.410(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     1995.6(4)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection       'Rigaku/AFC Diffractometer Control Software'
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    'TEXSAN ORTEP'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    SHELXS86
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6158
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        -0.24
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.041
_exptl_absorpt_correction_T_max  0.326
_exptl_absorpt_correction_T_min  0.155
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Coppens numerical'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.382
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     190
_refine_ls_number_reflns         4703
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.0026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.000225|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0347
_reflns_number_gt                4703
_reflns_number_total             5808
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            oa1069.cif
_cod_data_source_block           III
_cod_original_cell_volume        1995.5(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2008175