Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions
Syu, Herbert J. H.; Chiou, Josh Y. Z.; Wang, Ju-Chun; Lin, Ivan J. B.; RSC Adv. 7 (2017) 14611–; doi:10.1039/C6RA28294F

data_7227810
_publ_section_title
;
 Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic
 carbene complexes. Interplay the aurophilic, hydrogen bonding and
 hydrophobic interactions
;
_journal_issue                   24
_journal_name_full               'RSC Adv.'
_journal_page_first              14611
_journal_paper_doi               10.1039/C6RA28294F
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C35 H68 Au Cl N2 O'
_chemical_formula_weight         765.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-16 deposited with the CCDC.
2017-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.647(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.165(7)
_cell_length_b                   8.609(3)
_cell_length_c                   18.260(5)
_cell_measurement_reflns_used    4115
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.99
_cell_measurement_theta_min      2.23
_cell_volume                     3795(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28778
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.390
_diffrn_reflns_theta_min         0.843
_exptl_absorpt_coefficient_mu    3.973
_exptl_absorpt_correction_T_max  0.7036
_exptl_absorpt_correction_T_min  0.4484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
_exptl_crystal_F_000             1584
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_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.095
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.774
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6914
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_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0998
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_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^)+(0.0561P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1230
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4104
_reflns_number_total             6914
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra28294f2.cif
_cod_data_source_block           1
_cod_original_cell_volume        3794.9(19)
_cod_database_code               7227810
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              7277