[Ge9Ge9Ge9Ge9]8-: A Linear Tetramer of Nine-Atom Germanium Clusters, a Nanorod
Angel Ugrinov; Slavi C. Sevov; Inorganic Chemistry 42 (2003) 5789–5791; doi:10.1021/ic034677+

data_4327476
_publ_contact_author
;
Slavi C. Sevov
Department of Chemistry and Biochemistry
251 Nieuwland Science Hall
University of Notre Dame
Notre Dame, IN 46556-5670
USA
;
_publ_contact_author_email       ssevov@nd.edu
_publ_contact_author_fax         'Intl. Code + (574)631-6652'
_publ_contact_author_phone       'Intl. Code + (574)631-5891'
_publ_section_title
;
 [Ge9Ge9Ge9Ge9]8-: A Linear Tetramer of Nine-Atom Germanium Clusters, a
 Nanorod
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5789
_journal_page_last               5791
_journal_paper_doi               10.1021/ic034677+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C100 H208 Ge36 N4 O48 Rb8'
_chemical_formula_weight         5531.70
_chemical_name_systematic
; 
(Rb-18C6)8(Ge9=Ge9=Ge9=Ge9).2en (1)
;
_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                83.3040(10)
_cell_angle_beta                 83.0120(10)
_cell_angle_gamma                78.0030(10)
_cell_formula_units_Z            1
_cell_length_a                   15.1198(10)
_cell_length_b                   16.2502(11)
_cell_length_c                   18.7173(12)
_cell_measurement_temperature    100(2)
_cell_volume                     4445.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL-V5.1'
_computing_molecular_graphics    'Bruker SHELXTL-V5.1'
_computing_publication_material  'Bruker SHELXTL-V5.1'
_computing_structure_refinement  'Bruker SHELXTL-V5.1'
_computing_structure_solution    'Bruker SHELXTL-V5.1'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0923
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37156
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    8.220
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6450
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             2668
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.223
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         15640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+18.0426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1505
_reflns_number_gt                10334
_reflns_number_total             15640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0346772Bsi20030609_044634_1.cif
_cod_data_source_block           compound-1
_cod_database_code               4327476