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_4327805
_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            'C102 H92 Au4 Cl4 N6 O2 P4'
_chemical_formula_weight         2487.36
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.013(5)
_cell_length_b                   22.507(5)
_cell_length_c                   21.968(4)
_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      3.1352
_cell_volume                     10066(5)
_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
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_diffrn_reflns_av_sigmaI/netI    0.1114
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23192
_diffrn_reflns_theta_full        24.50
_diffrn_reflns_theta_max         24.50
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    6.031
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       block
_exptl_crystal_F_000             4824
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.533
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         8053
_refine_ls_number_restraints     6
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_refine_ls_R_factor_all          0.1162
_refine_ls_R_factor_gt           0.0785
_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^)+(0.0867P)^2^+29.2053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1947
_reflns_number_gt                5607
_reflns_number_total             8053
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201741h_si_003.cif
_cod_data_source_block           2
_cod_original_cell_volume        10066(3)
_cod_database_code               4327805