Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives
Javier A. Cabeza; Pablo García-Álvarez; Diego Polo; Inorganic Chemistry 50 (2011) 6195–6199; doi:10.1021/ic2009682

data_4325568
_publ_contact_author_address
;
Departamento de Qu\'imica Org\'anica e Inorg\'anica 
       Facultad de Qu\'imica 
       Universidad de Oviedo 
       Avda. Juli\'an Claver\'ia, 8 
       33006 Oviedo 
       Spain  
;
_publ_contact_author_email       jac@uniovi.es
_publ_contact_author_fax         '+34 985103446'
_publ_contact_author_name        'Javier A. Cabeza'
_publ_contact_author_phone       '+34 985103501'
_publ_section_title
;
 Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2
 Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6195
_journal_page_last               6199
_journal_paper_doi               10.1021/ic2009682
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C57 H78 Ge3 N6 O9 Ru3, 2(C7 H8)'
_chemical_formula_sum            'C71 H94 Ge3 N6 O9 Ru3'
_chemical_formula_weight         1696.50
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.702(2)
_cell_angle_beta                 83.320(2)
_cell_angle_gamma                76.698(2)
_cell_formula_units_Z            2
_cell_length_a                   13.7916(3)
_cell_length_b                   13.8993(5)
_cell_length_c                   21.8561(5)
_cell_measurement_reflns_used    18472
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.2438
_cell_measurement_theta_min      3.2959
_cell_volume                     3925.89(19)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_molecular_graphics    'PLATON (Spek, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14694
_diffrn_reflns_theta_full        70.00
_diffrn_reflns_theta_max         70.00
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    6.281
_exptl_absorpt_correction_T_max  0.2724
_exptl_absorpt_correction_T_min  0.1234
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1724
_exptl_crystal_size_max          0.2213
_exptl_crystal_size_mid          0.1836
_exptl_crystal_size_min          0.0615
_refine_diff_density_max         1.398
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         14694
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0450
_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^)+(0.0742P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                11882
_reflns_number_total             14694
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2009682_si_002_2.cif
_cod_data_source_block           dp80
_cod_database_code               4325568