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_2008173
_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          '[Cr (C11 H27 P3) (C O)3]'
_chemical_formula_moiety         'C14 H27 Cr O3 P3'
_chemical_formula_sum            'C14 H27 Cr O3 P3'
_chemical_formula_weight         388.28
_chemical_name_systematic
Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 116.750(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.684(3)
_cell_length_b                   16.170(3)
_cell_length_c                   17.222(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.02
_cell_measurement_theta_min      10.19
_cell_volume                     3900.2(13)
_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 AFC7R'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11758
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.120
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.8381
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.530
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6367
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0595
_reflns_number_gt                6367
_reflns_number_total             11384
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            oa1069.cif
_cod_data_source_block           I
_cod_original_cell_volume        3900.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008173