Luminescence in phosphine-stabilized copper chalcogenide cluster molecules–a comparative study.
Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian; Inorganic chemistry 54 (2015) 9413–9422; doi:10.1021/acs.inorgchem.5b01146

data_4346266
_publ_section_title
;
 Luminescence in phosphine-stabilized copper chalcogenide cluster
 molecules--a comparative study.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9413
_journal_page_last               9422
_journal_paper_doi               10.1021/acs.inorgchem.5b01146
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C116 H120 Cu12 P8 S6'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 72.51(3)
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_cell_length_c                   16.125(3)
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_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         1.700
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    2.530
_exptl_absorpt_correction_T_max  0.8379
_exptl_absorpt_correction_T_min  0.4878
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XRED-32
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.630
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_exptl_crystal_F_000             1380
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_exptl_crystal_size_min          0.070
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_refine_ls_number_reflns         11309
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0605P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0907
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_reflns_number_gt                9233
_reflns_number_total             11309
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               4346266
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_shelx_hkl_checksum              77570