Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier; Chemical Science 11 (2020) 2750–2758; doi:10.1039/C9SC06398F

data_1557239
_publ_section_title
;
 Versatility and adaptative behaviour of the P^N chelating ligand
 MeDalphos within gold(i) \p complexes
;
_journal_issue                   10
_journal_name_full               'Chemical Science'
_journal_page_first              2750
_journal_page_last               2758
_journal_paper_doi               10.1039/C9SC06398F
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C38 H47 Au N2 O2 P, F6 Sb'
_chemical_formula_sum            'C38 H47 Au F6 N2 O2 P Sb'
_chemical_formula_weight         1027.48
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2019-11-25 deposited with the CCDC.	2020-01-31 downloaded from the CCDC.
;
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_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.70
_cell_volume                     3627.2(4)
_computing_cell_refinement       SAINT
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_l_min       -36
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_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.914
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.5799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2016
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+21.4974P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1076
_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc06398f2.cif
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_cod_depositor_comments
;Adding full bibliography for 1557234--1557239.cif.

 Adding full bibliography for 1557234--1557239.cif.
;
_cod_original_cell_volume        3627.3(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557239
_shelx_res_checksum              61229