Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.
Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 6693–6702; doi:10.1039/d0dt01031f

data_7704176
_publ_section_title
;
 Pyridylamido hafnium complexes with a silylene bridge: synthesis and
 olefin polymerization.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6693
_journal_page_last               6702
_journal_paper_doi               10.1039/d0dt01031f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C37 H40 Hf N2 Si, 0.5(C7 H8)'
_chemical_formula_sum            'C40.5 H44 Hf N2 Si'
_chemical_formula_weight         765.35
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-02-28 deposited with the CCDC.	2020-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.6290(10)
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_cell_angle_gamma                111.6070(10)
_cell_formula_units_Z            2
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_cell_length_b                   10.8823(5)
_cell_length_c                   17.9126(8)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     1770.65(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_type            'Bruker APEX II CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX II diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_number            32021
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_diffrn_reflns_theta_max         30.720
_diffrn_reflns_theta_min         2.014
_exptl_absorpt_coefficient_mu    3.009
_exptl_absorpt_correction_T_max  0.2125
_exptl_absorpt_correction_T_min  0.1659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_description       prism
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene/hexane'
_exptl_crystal_size_max          0.200
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0266P)^2^+0.3988P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0512
_refine_ls_wR_factor_ref         0.0532
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9797
_reflns_number_total             10982
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d0dt01031f2.cif
_cod_data_source_block           pk1323
_cod_depositor_comments
'Adding full bibliography for 7704173--7704176.cif.'
_cod_original_formula_sum        'C40.50 H44 Hf N2 Si'
_cod_database_code               7704176
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.584
_shelx_estimated_absorpt_t_max   0.661
_shelx_res_checksum              14525