Cooperative Metathesis of H-H/Sn-CAr bonds in stannylene-Ni0 systems
Gilch, Jonas M.; Iddrisu, Mustapha; Keil, Philip M.; Szilvasi, Tibor; Hadlington, Terrance John; Chemical Science  (2026) –; doi:10.1039/D5SC09496H

data_1576691
_publ_section_title
;
 Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in
 stannylene-Ni<sup>0</sup> systems.
;
_journal_issue                   16
_journal_name_full               'Chemical science'
_journal_page_first              7938
_journal_page_last               7946
_journal_paper_doi               10.1039/d5sc09496h
_journal_volume                  17
_journal_year                    2026
_chemical_formula_moiety         'C78 H92 F12 N2 Ni P2 Si2 Sn2'
_chemical_formula_sum            'C78 H92 F12 N2 Ni P2 Si2 Sn2'
_chemical_formula_weight         1699.74
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-10-01 deposited with the CCDC.	2026-02-25 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_detector                 Pilatus300K
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_min         2.700
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
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_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.763
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_exptl_absorpt_process_details   'STOE X-AREA 1.76'
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_refine_ls_number_reflns         9242
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_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0736
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_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^)+(0.0591P)^2^+138.4464P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             9242
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           3_CF3
_cod_depositor_comments
'Adding full bibliography for 1576689--1576698.cif.'
_cod_original_cell_volume        42341(15)
_cod_database_code               1576691
_shelx_shelxl_version_number     2018/3
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