An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.
Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2653–2659; doi:10.1039/c6dt04685a

data_7041895
_publ_section_title
;
 An efficient synthetic method for organometallic radicals: structures and
 properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2653
_journal_page_last               2659
_journal_paper_doi               10.1039/c6dt04685a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C25 H45 Au N2 O2 P'
_chemical_formula_sum            'C25 H45 Au N2 O2 P'
_chemical_formula_weight         633.58
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-09-28 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.950(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
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_cell_length_b                   19.532(7)
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_cell_measurement_temperature    200
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      4.05
_cell_volume                     2673.4(19)
_computing_cell_refinement       CrystalClear
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_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_number            23992
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         4.051
_diffrn_standards_number         0
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_exptl_absorpt_correction_T_min  0.700
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_exptl_crystal_colour            purple
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.54
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_refine_ls_number_reflns         6060
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0246P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0585
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5126
_reflns_number_total             6060
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c6dt04685a2.cif
_cod_data_source_block           NN-Au-PCy3
_cod_depositor_comments
'Adding full bibliography for 7041894--7041898.cif.'
_cod_original_cell_volume        2673.5(19)
_cod_database_code               7041895
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