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_1557234
_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         '2(C30 H44 Au N P), 2(F6 Sb), C H2 Cl2'
_chemical_formula_sum            'C61 H90 Au2 Cl2 F12 N2 P2 Sb2'
_chemical_formula_weight         1849.65
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2019-11-25 deposited with the CCDC.	2020-01-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.354(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4398(8)
_cell_length_b                   18.5854(15)
_cell_length_c                   16.9617(14)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      40.08
_cell_measurement_theta_min      2.94
_cell_volume                     3281.5(5)
_computing_cell_refinement       'APEX2 and 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, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  triumph
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            124551
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.727
_diffrn_reflns_theta_min         2.938
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.475
_exptl_absorpt_correction_T_max  0.7481
_exptl_absorpt_correction_T_min  0.5420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1804
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.487
_refine_diff_density_min         -1.691
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         13100
_refine_ls_number_restraints     578
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+4.2814P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0718
_reflns_Friedel_coverage         0
_reflns_number_gt                11284
_reflns_number_total             13100
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc06398f2.cif
_cod_data_source_block           ATP081
_cod_depositor_comments
;Adding full bibliography for 1557234--1557239.cif.

 Adding full bibliography for 1557234--1557239.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557234
_shelx_res_checksum              16154