Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.
Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Dalton transactions (Cambridge, England : 2003) 43 (2014) 16486–16497; doi:10.1039/c4dt02154a

data_7032668
_publ_section_title
;
 Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i)
 heteropolynuclear complexes.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16486
_journal_page_last               16497
_journal_paper_doi               10.1039/c4dt02154a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C50.5 H29 Au2 B Cl5 Cu F10 N3 P2'
_chemical_formula_weight         1575.24
_chemical_name_common            4
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
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_cell_angle_gamma                88.4640(10)
_cell_formula_units_Z            2
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_cell_length_b                   14.8328(5)
_cell_length_c                   20.3022(6)
_cell_measurement_reflns_used    9679
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_cell_measurement_theta_max      32.34
_cell_measurement_theta_min      2.35
_cell_volume                     2577.19(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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  0.0214
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         30.508
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_exptl_crystal_colour            yellow
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_exptl_crystal_F_000             1500
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0190
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_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+1.8687P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             15695
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt02154a2.cif
_cod_data_source_block           cat16_0m
_cod_depositor_comments
'Adding full bibliography for 7032665--7032668.cif.'
_cod_original_formula_sum        'C50.50 H29 Au2 B Cl5 Cu F10 N3 P2'
_cod_database_code               7032668
_shelx_estimated_absorpt_t_min   0.246
_shelx_estimated_absorpt_t_max   0.593
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_shelx_res_checksum              10278