Dual Luminescent Tetranuclear Organogold(I) Macrocycles of 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of Yb(III) Luminescence
Xiu-Ling Li; Ming Tan; Ke-Juan Zhang; Bo Yang; Jie Chen; Yu-Bo Ai; Inorganic Chemistry 51 (2012) 109–118; doi:10.1021/ic201741h

data_4327804
_publ_section_title
;
 Dual Luminescent Tetranuclear Organogold(I) Macrocycles of
 5,5'-Diethynyl-2,2'-bipyridine and Their Efficient Sensitization of
 Yb(III) Luminescence
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              109
_journal_page_last               118
_journal_paper_doi               10.1021/ic201741h
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C81 H62 Au4 Cl6 N4 P4'
_chemical_formula_weight         2215.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.7730(10)
_cell_angle_beta                 81.930(2)
_cell_angle_gamma                75.3510(10)
_cell_formula_units_Z            3
_cell_length_a                   16.9861(15)
_cell_length_b                   17.2304(17)
_cell_length_c                   22.451(3)
_cell_measurement_reflns_used    33938
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.60
_cell_measurement_theta_min      6.04
_cell_volume                     6206.8(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1570
_diffrn_reflns_av_sigmaI/netI    0.2301
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            46655
_diffrn_reflns_theta_full        24.50
_diffrn_reflns_theta_max         24.50
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    7.383
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.1998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan. 
Rigaku (2007). CrystalStructure. Rigaku Corporation, Tokyo, Japan. 
Bruker (2003). SAINT-Plus. Bruker AXS Inc.; Madison, Wisconsin, USA.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_description       prism
_exptl_crystal_F_000             3162
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.855
_refine_diff_density_min         -3.431
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1405
_refine_ls_number_reflns         19855
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.2296
_refine_ls_R_factor_gt           0.0960
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1095P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1989
_refine_ls_wR_factor_ref         0.2594
_reflns_number_gt                8187
_reflns_number_total             19855
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201741h_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        6206.7(11)
_cod_database_code               4327804