In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes
Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie; Chemical Communications (Cambridge, United Kingdom) 47 (2011) 1881–1883; doi:10.1039/c0cc03727c

data_7105922
_publ_section_title
;
 In situ Ge--Ge bond formation under ambient conditions:
 synthesis, characterization and reactivity of organo-functionalized
 telluridogermanate complexes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   6
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1881
_journal_page_last               1883
_journal_paper_doi               10.1039/c0cc03727c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C12 H20 Ge4 O8 Te5, 0.32 (H2O)'
_chemical_formula_sum            'C12 H20.64 Ge4 O8.3 Te5'
_chemical_formula_weight         1226.09
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_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                   10.100(3)
_cell_length_b                   50.56(1)
_cell_length_c                   12.418(4)
_cell_measurement_reflns_used    17916
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.40
_cell_measurement_theta_min      2.60
_cell_volume                     6341(3)
_computing_cell_refinement       'Stoe, X-Area ver. 1.54'
_computing_data_collection       'Stoe, X-Area ver. 1.54'
_computing_data_reduction        'Stoe, X-Area ver. 1.54'
_computing_molecular_graphics    'DIAMOND 3.1'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       /w
_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  0.1274
_diffrn_reflns_av_sigmaI/netI    0.0835
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       63
_diffrn_reflns_limit_k_min       -60
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17666
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.76
_diffrn_reflns_theta_min         4.65
_exptl_absorpt_coefficient_mu    8.3
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4376
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.90
_refine_diff_density_min         -2.07
_refine_diff_density_rms         0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         3302
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1265
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0660P)^2^+182.8084P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                2098
_reflns_number_total             3302
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03727C.TXT
_cod_data_source_block           2
_cod_original_sg_symbol_Hall     '-C 2b 2bc'
_cod_original_sg_symbol_H-M      'C cca'
_cod_original_formula_sum        'C12 H20.64 Ge4 O8.30 Te5'
_cod_database_code               7105922