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_4325567
_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         'C27 H72 Ge2 N4 O3 Ru Si8'
_chemical_formula_sum            'C27 H72 Ge2 N4 O3 Ru Si8'
_chemical_formula_weight         971.86
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.78460(10)
_cell_length_b                   21.2709(2)
_cell_length_c                   31.7140(3)
_cell_measurement_reflns_used    31055
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.7255
_cell_measurement_theta_min      2.8751
_cell_volume                     9973.47(15)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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     1.54180
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0740
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            12284
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    5.913
_exptl_absorpt_correction_T_max  0.1965
_exptl_absorpt_correction_T_min  0.0934
_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            orange
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_description       fragment
_exptl_crystal_F_000             4048
_exptl_crystal_size_max          0.6400
_exptl_crystal_size_mid          0.4885
_exptl_crystal_size_min          0.3754
_refine_diff_density_max         1.307
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.145
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.066(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         12284
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0609
_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^)+(0.1142P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                12004
_reflns_number_total             12284
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2009682_si_002_1.cif
_cod_data_source_block           pc45_100ksp
_cod_database_code               4325567