The syntheses and photophysical properties of PNP-based Au(i) complexes with strong intramolecular AuAu interactions.
Kathewad, Neha; Kumar, Nandha; Dasgupta, Rajarshi; Ghosh, Moushakhi; Pal, Shiv; Khan, Shabana; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7274–7280; doi:10.1039/c8dt04471f

data_7048855
_publ_section_title
;
 The syntheses and photophysical properties of PNP-based Au(i) complexes
 with strong intramolecular AuAu interactions.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7274
_journal_page_last               7280
_journal_paper_doi               10.1039/c8dt04471f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C60 H50 Au2 Cl2 N2 P4'
_chemical_formula_sum            'C60 H50 Au2 Cl2 N2 P4'
_chemical_formula_weight         1387.73
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1pz932
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-25 deposited with the CCDC.
2019-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                70.703(3)
_cell_angle_beta                 81.836(3)
_cell_angle_gamma                74.313(3)
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_cell_measurement_temperature    150(2)
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_cell_volume                     1294.1(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            49441
_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.400
_diffrn_reflns_theta_min         2.506
_exptl_absorpt_coefficient_mu    5.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick,G.M(2012)SADABS.Bruker AXS Inc.,Madison,Wisconsin,USA.'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_description       Block
_exptl_crystal_F_000             676
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_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
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_exptl_transmission_factor_min   0.6829
_refine_diff_density_max         1.136
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     316
_refine_ls_number_reflns         6410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0161P)^2^+0.6769P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0354
_refine_ls_wR_factor_ref         0.0374
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5826
_reflns_number_total             6410
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04471f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7048855--7048857.cif.'
_cod_database_code               7048855
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              80604