Efficient hydrosilylation of carbonyls by zinc alkyl complexes supported by flexible amidophosphinochalcogenide ligands.
Bano, Kulsum; Ravi Kumar, ?; Jain, Archana; Panda, Tarun K.; Organic & biomolecular chemistry 23 (2025) 2925–2934; doi:10.1039/d5ob00004a

data_7160382
_publ_section_title
;
 Efficient hydrosilylation of carbonyls by zinc alkyl complexes supported
 by flexible amidophosphinochalcogenide ligands.
;
_journal_issue                   12
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2925
_journal_page_last               2934
_journal_paper_doi               10.1039/d5ob00004a
_journal_volume                  23
_journal_year                    2025
_chemical_formula_moiety         'C40 H54 N4 O2 P2 Se2 Zn2'
_chemical_formula_sum            'C40 H54 N4 O2 P2 Se2 Zn2'
_chemical_formula_weight         973.51
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2024-12-09 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_publication_material  'ORTEP III'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_number            41324
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.121
_diffrn_reflns_theta_min         2.242
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.980
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
_exptl_crystal_F_000             992
_refine_diff_density_max         0.314
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_refine_ls_number_reflns         4650
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+0.9735P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3376
_reflns_number_total             4650
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ob00004a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7160382--7160383.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7160382
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              52308