An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman; Organic & biomolecular chemistry 19 (2021) 5544–5550; doi:10.1039/d1ob00782c

data_7158098
_publ_section_title
;
 An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of
 alkenes and alkynes.
;
_journal_issue                   25
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5544
_journal_page_last               5550
_journal_paper_doi               10.1039/d1ob00782c
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C42 H48 N6 P2 Zn, B12 I12 [+ solvent]'
_chemical_formula_sum            'C42 H48 B12 I12 N6 P2 Zn'
_chemical_formula_weight         2416.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2021-04-18 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
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_cell_measurement_temperature    110(2)
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_cell_volume                     7189.5(3)
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_diffrn_measurement_device_type  'ApexDuo, Bruker-AXS'
_diffrn_measurement_method       '0.5 deg. \f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -30
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_diffrn_source                   'ImuS micro focus'
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_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, Bruker-AXS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.233
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.092
_exptl_crystal_size_min          0.086
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+35.7044P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14762
_reflns_number_total             17922
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob00782c2.cif
_cod_data_source_block           rom58_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7158095--7158098.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7158098
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.449
_shelx_estimated_absorpt_t_max   0.646
_shelx_res_checksum              78188
_shelx_fab_checksum              25822