Hydro- and chloroelementation reactions across an iron-carbon bond using heavy group 15 reagents.
Zurakowski, Joseph A.; MacEachern, Mitchell A. Z.; Durfy, Connor S.; Boyle, Paul D.; Chitnis, Saurabh S.; Drover, Marcus W.; Chemical communications (Cambridge, England) 61 (2025) 10969–10972; doi:10.1039/d5cc03258j

data_7134768
_publ_section_title
;
 Hydro- and chloroelementation reactions across an iron-carbon bond using
 heavy group 15 reagents.
;
_journal_issue                   59
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10969
_journal_page_last               10972
_journal_paper_doi               10.1039/d5cc03258j
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C46 H82 Bi Cl Fe N2 P2 Si2'
_chemical_formula_weight         1081.53
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-05-12 deposited with the CCDC.	2025-06-24 downloaded from the CCDC.
;
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_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
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_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.177
_diffrn_reflns_theta_min         2.163
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    3.714
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_exptl_absorpt_correction_T_min  0.1886
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
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_exptl_crystal_description       prism
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_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+4.8964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0691
_reflns_Friedel_coverage         0.000
_reflns_number_gt                26136
_reflns_number_total             34536
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc03258j3.cif
_cod_data_source_block           b25132
_cod_depositor_comments          'Adding full bibliography for 7134768.cif.'
_cod_database_code               7134768
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.352
_shelx_estimated_absorpt_t_max   0.563
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_shelx_fab_checksum              90801