Synthesis, Structural Characterization, and Photophysical Study of Luminescent Face-to-Face Dinuclear Platinum(II) Alkynyl Phosphine Complexes and Their Tetranuclear Mixed-Metal Platinum(II)−Silver(I) and −Copper(I) Complexes†
Leung, Sammual Yu-Lut; Lam, Wai Han; Zhu, Nianyong; Yam, Vivian Wing-Wah; Organometallics 29 (2010) 5558–; doi:10.1021/om100473q

data_4066470
_publ_section_title
;
 Synthesis, Structural Characterization, and Photophysical Study of
 Luminescent Face-to-Face Dinuclear Platinum(II) Alkynyl Phosphine
 Complexes and Their Tetranuclear Mixed-Metal
 Platinum(II)&#x2212;Silver(I) and &#x2212;Copper(I) Complexes&#x2020;
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5558
_journal_paper_doi               10.1021/om100473q
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety
'C98 H94 Cu2 N2 O12 P4 Pt2, 4(C3 H6 O), 2(F6 P)'
_chemical_formula_sum            'C110 H118 Cu2 F12 N2 O16 P6 Pt2'
_chemical_formula_weight         2655.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.229(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.973(3)
_cell_length_b                   22.983(2)
_cell_length_c                   21.570(2)
_cell_measurement_reflns_used    29412
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.77
_cell_volume                     11615(2)
_computing_cell_refinement       'SAINT (Bruker AXS Inc, 2006)'
_computing_data_collection       'SMART (Bruker AXS Inc, 1998)'
_computing_data_reduction
;
SAINT (Bruker AXS Inc, 2006) & 
CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2006)
;
_computing_molecular_graphics
'ORTEP-II (Johnson, 1976) & MERCURY (Macrae et al., 2008)'
_computing_publication_material  'SHELX (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29002
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.925
_exptl_absorpt_correction_T_max  0.7204
_exptl_absorpt_correction_T_min  0.4108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5328
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.120
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         10214
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0645P)^2^+44.0022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                8396
_reflns_number_total             10214
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om100473q_si_006.cif
_cod_data_source_block           wt1793w-shelxl
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4066470