Synthesis and Structure of (OC)5W(η1-GaH3·(quinuclidine)): The First Gallane-Coordinated Transition-Metal Complex
Ueno, Keiji; Yamaguchi, Takeshi; Uchiyama, Kei; Ogino, Hiroshi; Organometallics 21 (2002) 2347–; doi:10.1021/om020288w

data_4076911
_publ_section_title
;
 Synthesis and Structure of
 (OC)5W(\h1-GaH3&#x00B7;(quinuclidine)):&#x00A0; The First
 Gallane-Coordinated Transition-Metal Complex
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2347
_journal_paper_doi               10.1021/om020288w
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C12 H16 Ga N O5 W'
_chemical_formula_weight         507.83
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.185(3)
_cell_angle_beta                 84.411(5)
_cell_angle_gamma                74.069(4)
_cell_formula_units_Z            2
_cell_length_a                   6.9682(6)
_cell_length_b                   10.4874(8)
_cell_length_c                   11.6480(12)
_cell_measurement_reflns_used    4824
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.93
_cell_volume                     803.04(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7321
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    8.849
_exptl_absorpt_correction_T_max  0.13908
_exptl_absorpt_correction_T_min  0.06306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'abscor (Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.100
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.248
_refine_diff_density_min         -2.214
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3615
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+2.3617P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                3548
_reflns_number_total             3615
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020288w.cif
_cod_data_source_block           2
_cod_original_cell_volume        803.04(12)
_cod_original_sg_symbol_H-M      'P -1     '
_cod_database_code               4076911