Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.
Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars; Inorganic chemistry 54 (2015) 6020–6027; doi:10.1021/acs.inorgchem.5b00896

data_4343091
_publ_section_title
;
 Reversibility in Reactions of Linker-Bridged Distannenes with Terminal
 Alkynes at Ambient Temperature.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6020
_journal_page_last               6027
_journal_paper_doi               10.1021/acs.inorgchem.5b00896
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C65 H68 Si Sn2'
_chemical_formula_weight         1114.66
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_gamma                90
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_cell_length_b                   17.0316(6)
_cell_length_c                   24.0193(8)
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_cell_measurement_theta_min      1.8979
_cell_volume                     5401.4(3)
_computing_cell_refinement       'APEX2 v2011.8--0 (Bruker AXS)'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       18
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_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            71626
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.721
_diffrn_reflns_theta_min         1.642
_diffrn_source_type              'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.9120
_exptl_absorpt_correction_T_min  0.7821
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear light green-colourless'
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.217
_exptl_crystal_size_min          0.158
_refine_diff_density_max         1.609
_refine_diff_density_min         -0.910
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         13930
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0351
_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^)+(0.0281P)^2^+10.3221P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0860
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11840
_reflns_number_total             13930
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4343090--4343095.cif.'
_cod_database_code               4343091
_shelxl_version_number           2014-3
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_shelx_hkl_checksum              34988