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_7158097
_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         'C21 H24 Cl2 N3 P Zn'
_chemical_formula_sum            'C21 H24 Cl2 N3 P Zn'
_chemical_formula_weight         485.67
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_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.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      110(2)
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_diffrn_measured_fraction_theta_max 0.981
_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_unetI/netI     0.0448
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_min         1.824
_diffrn_source                   'ImuS micro-focus'
_exptl_absorpt_coefficient_mu    1.477
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, Bruker-AXS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       prism
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.038
_refine_diff_density_max         0.465
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_refine_diff_density_rms         0.086
_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         5394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0327
_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^)+(0.0481P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0961
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4190
_reflns_number_total             5394
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob00782c2.cif
_cod_data_source_block           rom17
_cod_depositor_comments
'Adding full bibliography for 7158095--7158098.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7158097
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.705
_shelx_estimated_absorpt_t_max   0.946
_shelx_res_checksum              6504