Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.
Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain; Dalton transactions (Cambridge, England : 2003) 50 (2021) 11049–11060; doi:10.1039/d1dt01689j

data_7707856
_publ_section_title
;
 Towards rainbow photo/electro-luminescence in copper(i) complexes with
 the versatile bridged bis-pyridyl ancillary ligand.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11049
_journal_page_last               11060
_journal_paper_doi               10.1039/d1dt01689j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C47 H38 Cl2 Cu F6 N2 O P3 S'
_chemical_formula_sum            'C47 H38 Cl2 Cu F6 N2 O P3 S'
_chemical_formula_weight         1020.20
_chemical_name_systematic
;
Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl]
-diphenylphosphane, 2,2'-di(pyridin-2-yl)sulfane] hexafluorophosphate 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2021-05-21 deposited with the CCDC.	2021-07-14 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.094
_diffrn_reflns_theta_min         2.316
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2015/1'
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_exptl_crystal_description       block
_exptl_crystal_F_000             1040
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_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
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_exptl_transmission_factor_min   0.5861
_refine_diff_density_max         1.470
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         13006
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0580
_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^)+(0.0719P)^2^+4.0913P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1643
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9826
_reflns_number_total             13006
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mahoro11_0m_a
_cod_depositor_comments
'Adding full bibliography for 7707855--7707861.cif.'
_cod_database_code               7707856
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