Stereodivergent sila-germylenation <i>vs.</i> sila-stannylenation of an internal alkyne.
Ajithkumar, V. S.; Ghanwat, Pratiksha B.; Saha, Sougata; Pati, Swapan K.; Sen, Sakya S.; Chemical communications (Cambridge, England) 60 (2024) 9837–9840; doi:10.1039/d4cc02101k

data_7133512
_publ_section_title
;
 Stereodivergent sila-germylenation <i>vs.</i> sila-stannylenation of an
 internal alkyne.
;
_journal_issue                   72
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9837
_journal_page_last               9840
_journal_paper_doi               10.1039/d4cc02101k
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C30 H56 Ge N2 O4 Si4, C4 H8 O'
_chemical_formula_sum            'C34 H64 Ge N2 O5 Si4'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-12 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
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_cell_volume                     2127.2(3)
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.407
_diffrn_reflns_theta_min         2.645
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6607
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_description       Block
_exptl_crystal_F_000             820
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_exptl_crystal_size_min          0.02
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+1.5212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9767
_reflns_number_total             10635
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02101k2.cif
_cod_data_source_block           mo_LGe_CCOOME_2_0m_a
_cod_depositor_comments
'Adding full bibliography for 7133512--7133513.cif.'
_cod_database_code               7133512
_shelx_shelxl_version_number     2018/3
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