Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes
Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido; Inorganic Chemistry 51 (2012) 8187–8193; doi:10.1021/ic300600c

data_4329820
_publ_contact_author_address
;
    Centro de Qu\'imica
    Instituto Venezolano de Investigaciones Cient\'ifica (IVIC)
    Apartado 21827
    Caracas 1020-A
    Venezuela
;
_publ_contact_author_email       abriceno@ivic.ve
_publ_contact_author_fax         '(58-212) 504-1350'
_publ_contact_author_name        'Dr. Alexander Brice\~no'
_publ_contact_author_phone       '(58-212) 504-1320'
_publ_section_title
;
 Synthesis and Characterization of Rhodium Complexes with
 Phosphine-Stabilized Germylenes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8187
_journal_page_last               8193
_journal_paper_doi               10.1021/ic300600c
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C27 H43 Cl Ge N3 P'
_chemical_formula_weight         548.65
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.601(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3296(5)
_cell_length_b                   18.4260(9)
_cell_length_c                   15.6319(7)
_cell_measurement_reflns_used    2695
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      19.83
_cell_measurement_theta_min      2.28
_cell_volume                     2941.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1458
_diffrn_reflns_av_sigmaI/netI    0.1367
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29957
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         5.10
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_T_max  0.9097
_exptl_absorpt_correction_T_min  0.7526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_description       plate
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5537
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1839
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0770P)^2^+3.2271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1392
_refine_ls_wR_factor_ref         0.1987
_reflns_number_gt                2415
_reflns_number_total             5537
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300600c_si_001_1.cif
_cod_data_source_block           1a
_cod_database_code               4329820