Trans-selective hydrogermylation of alkynes promoted by methyliron and bis(germyl)hydridoiron complexes as a catalyst precursor
Masumi Itazaki; Masahiro Kamitani; Hiroshi Nakazawa; Chem.Commun. 47 (2011) 7854–; doi:10.1039/c1cc12530c

data_7106621
_publ_section_title
;
 Trans-selective hydrogermylation of alkynes promoted by methyliron and
 bis(germyl)hydridoiron complexes as a catalyst precursor
;
_journal_name_full               Chem.Commun.
_journal_page_first              7854
_journal_paper_doi               10.1039/c1cc12530c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C18 H36 Fe Ge2 O'
_chemical_formula_sum            'C18 H36 Fe Ge2 O'
_chemical_formula_weight         469.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2007-07-24
_audit_creation_method           SHELXL-97
_cell_angle_alpha                63.300(5)
_cell_angle_beta                 81.670(7)
_cell_angle_gamma                89.180(8)
_cell_formula_units_Z            4
_cell_length_a                   10.4400(12)
_cell_length_b                   14.1000(14)
_cell_length_c                   16.5000(14)
_cell_measurement_reflns_used    9322
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0511
_cell_volume                     2143.4(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21116
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.05
_exptl_absorpt_coefficient_mu    3.455
_exptl_absorpt_correction_T_max  0.3387
_exptl_absorpt_correction_T_min  0.1687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.982
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         9596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0447
_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^)+(0.0421P)^2^+5.6719P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                8442
_reflns_number_total             9596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12530c.txt
_cod_data_source_block           KAM223
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106621