Formation of [Ar*Ge{CH2C(Me)C(Me)CH2}CH2C(Me)]2 (Ar* = C6H3-2,6-Trip2; Trip = C6H2-2,4,6-i-Pr3) via reaction of Ar*GeGeAr* with 2,3-dimethyl-1,3-butadiene: evidence for the existence of a germanium analogue of an alkyne
Stender, Matthias; Phillips, Andrew D.; Power, Philip P.; Chemical Communications  (2002) 1312–; doi:10.1039/b203403d

data_7114294
_publ_section_title
;
 Formation of [Ar*Ge&#xE010;{CH2C(Me)C(Me)C&#xE011;H2}CH2C(Me)&#xE001;]2
 (Ar* = C6H3-2,6-Trip2; Trip = C6H2-2,4,6-i-Pr3) via reaction of
 Ar*GeGeAr* with 2,3-dimethyl-1,3-butadiene: evidence for the existence of
 a germanium analogue of an alkyne
;
_journal_issue                   12
_journal_name_full               'Chemical Communications'
_journal_page_first              1312
_journal_paper_doi               10.1039/b203403d
_journal_year                    2002
_chemical_formula_sum            'C90 H128 Ge2'
_chemical_formula_weight         1355.19
_chemical_name_common            '[Bert*Ge(C6H10)(mu-C6H10)]2'
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 106.8280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8612(8)
_cell_length_b                   19.4797(12)
_cell_length_c                   16.8275(10)
_cell_measurement_reflns_used    5061
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.90
_cell_measurement_theta_min      2.44
_cell_volume                     4035.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL v. 5.10'
_computing_molecular_graphics    'XP, Bruker SHELXTL v. 5.10'
_computing_publication_material  'XCIF, Bruker SHELXTL v. 5.10'
_computing_structure_refinement  'XL, Bruker SHELXTL v. 5.10'
_computing_structure_solution    'XS, Bruker SHELXTL v. 5.10'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0609
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            25194
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        <0.01
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    0.787
_exptl_absorpt_correction_T_max  0.8336
_exptl_absorpt_correction_T_min  0.8156
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS: an empirical absorption program by G. M. Sheldrick
using the method described by Blessing, R. H.; Acta Cryst.
A51, 1995, 33.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.115
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.027
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         7285
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0671
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+11.6563P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1581
_refine_ls_wR_factor_ref         0.1770
_reflns_number_gt                5196
_reflns_number_total             7285
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b203403d.txt
_cod_data_source_block           mas82
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7114294