Compounds of Group 14 Elements with an Element–Element (E = Si, Ge, Sn) Bond: Effect of the Nature of the Element Atom
Zaitsev, Kirill V.; Lermontova, Elmira Kh.; Churakov, Andrei V.; Tafeenko, Viktor A.; Tarasevich, Boris N.; Poleshchuk, Oleg Kh.; Kharcheva, Anastasia V.; Magdesieva, Tatiana V.; Nikitin, Oleg M.; Zaitseva, Galina S.; Karlov, Sergey S.; Organometallics 34 (2015) 2765–; doi:10.1021/om501293t

data_1520114
_publ_section_title
;
 Compounds of Group 14 Elements with an Element--Element (E = Si, Ge, Sn)
 Bond: Effect of the Nature of the Element Atom
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2765
_journal_paper_doi               10.1021/om501293t
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C24 H30 Ge2'
_chemical_formula_sum            'C24 H30 Ge2'
_chemical_formula_weight         463.66
_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                 109.624(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6888(2)
_cell_length_b                   19.3569(4)
_cell_length_c                   12.2900(3)
_cell_measurement_reflns_used    11517
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      67.87
_cell_measurement_theta_min      3.82
_cell_volume                     2395.13(9)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295
_diffrn_detector                 Pilatus100K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      ' 1016 frames, detector distance = 42 mm'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  none
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0700
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8692
_diffrn_reflns_theta_full        68.00
_diffrn_reflns_theta_max         68.00
_diffrn_reflns_theta_min         4.39
_diffrn_source                   'Cu GeniX 3D'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    3.10
_exptl_absorpt_correction_T_max  0.8513
_exptl_absorpt_correction_T_min  0.7134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             952
_exptl_crystal_size_max          .12
_exptl_crystal_size_mid          .08
_exptl_crystal_size_min          .07
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.00059(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.831
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         4349
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.831
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0611P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1111
_reflns_number_gt                2611
_reflns_number_total             4349
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om501293t_si_003.cif
_cod_data_source_block           k1
_cod_depositor_comments
'Adding full bibliography for 1520113--1520115.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520114