Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.
Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří; Dalton transactions (Cambridge, England : 2003) 55 (2026) 5397–5407; doi:10.1039/d6dt00321d

data_7720653
_publ_section_title
;
 Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and
 catalytic evaluation of their gold(I) complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5397
_journal_page_last               5407
_journal_paper_doi               10.1039/d6dt00321d
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C22 H20 Fe N P S'
_chemical_formula_sum            'C22 H20 Fe N P S'
_chemical_formula_weight         417.27
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-12-19 deposited with the CCDC.	2026-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                73.9730(10)
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_cell_angle_gamma                78.4160(10)
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_cell_length_b                   9.4666(4)
_cell_length_c                   11.2315(5)
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      72.08
_cell_measurement_theta_min      4.10
_cell_volume                     930.78(7)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.12'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 1000 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0260
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_diffrn_reflns_Laue_measured_fraction_full 0.958
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_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13587
_diffrn_reflns_point_group_measured_fraction_full 0.958
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_diffrn_reflns_theta_max         72.071
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_exptl_absorpt_correction_T_max  0.36
_exptl_absorpt_correction_T_min  0.26
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange-brown
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_exptl_crystal_description       prism
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3522
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+0.6566P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0679
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3501
_reflns_number_total             3522
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00321d3.cif
_cod_data_source_block           dr81
_cod_depositor_comments
'Adding full bibliography for 7720642--7720664.cif.'
_cod_database_code               7720653
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.174
_shelx_estimated_absorpt_t_max   0.366
_shelx_res_checksum              34195