Stable Compounds of Composition LGe(II)R (R = OH, PhO, C6F5O, PhCO2) Prepared by Nucleophilic Addition Reactions
Jana, Anukul; Nekoueishahraki, Bijan; Roesky, Herbert W.; Schulzke, Carola; Organometallics 28 (2009) 3763–; doi:10.1021/om900149k

data_4069345
_publ_section_title
;
 Stable Compounds of Composition LGe(II)R (R = OH, PhO, C6F5O, PhCO2)
 Prepared by Nucleophilic Addition Reactions
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3763
_journal_paper_doi               10.1021/om900149k
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C36 H46 Ge N2 O2'
_chemical_formula_weight         611.34
_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                 96.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.371(4)
_cell_length_b                   10.627(2)
_cell_length_c                   16.940(3)
_cell_measurement_reflns_used    32393
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      53.9
_cell_measurement_theta_min      3.1
_cell_volume                     3287.3(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  IPDSII
_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  0.0802
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31397
_diffrn_reflns_theta_full        26.96
_diffrn_reflns_theta_max         26.96
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  0.9383
_exptl_absorpt_correction_T_min  0.7763
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         7131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+0.1963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                5399
_reflns_number_total             7131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900149k_si_001.cif
_cod_data_source_block           ja17
_cod_original_cell_volume        3287.4(11)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4069345