A new strategy to synthesize three-coordinate mononuclear copper(I) halide complexes containing bulky terphenyl bidentate phosphine ligand and their luminescent properties
Liu, Li; Liu, Li Ping; Zhang, Rui; Zhong, Xinxin; Li, Fa-Bao; Wang, Lei; Wong, Wai-Yeung Raymond; Li, Guanghua; Cong, Hengjiang; Alharbi, Njud S.; Zhao, Yi; New Journal of Chemistry 43 (2019) 3390–3399; doi:10.1039/C8NJ05605F

data_7058118
_publ_section_title
;
 A new strategy to synthesize three-coordinate mononuclear copper(I)
 halide complexes containing bulky terphenyl bidentate phosphine ligand
 and their luminescent properties
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3390
_journal_page_last               3399
_journal_paper_doi               10.1039/C8NJ05605F
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C48 H44 Cu I P2'
_chemical_formula_weight         873.21
_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
_audit_update_record
;
2017-12-19 deposited with the CCDC.
2019-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                77.61(3)
_cell_angle_beta                 84.31(3)
_cell_angle_gamma                68.88(3)
_cell_formula_units_Z            2
_cell_length_a                   11.583(2)
_cell_length_b                   12.354(3)
_cell_length_c                   15.992(3)
_cell_measurement_reflns_used    11961
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.03
_cell_volume                     2084.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  IP
_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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20154
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.373
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             888
_refine_diff_density_max         0.740
_refine_diff_density_min         -1.188
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         9414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0273P)^2^+2.6661P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                6481
_reflns_number_total             9414
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8nj05605f2.cif
_cod_data_source_block           llp3br2
_cod_original_cell_volume        2084.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7058118