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_4066468
_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         'C90 H76 N4 P4 Pt2, 4(C H2 Cl2)'
_chemical_formula_sum            'C94 H84 Cl8 N4 P4 Pt2'
_chemical_formula_weight         2067.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                104.444(1)
_cell_angle_beta                 100.856(1)
_cell_angle_gamma                93.525(1)
_cell_formula_units_Z            1
_cell_length_a                   11.9617(9)
_cell_length_b                   12.8784(10)
_cell_length_c                   15.8100(12)
_cell_measurement_reflns_used    15665
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.84
_cell_volume                     2301.2(3)
_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  'SHELX (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al, 1999)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15665
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.83
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.384
_exptl_absorpt_correction_T_max  0.7735
_exptl_absorpt_correction_T_min  0.2992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.204
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10206
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0646P)^2^+0.5397P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                8262
_reflns_number_total             10206
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om100473q_si_004.cif
_cod_data_source_block           wt1773w-shelxl
_cod_database_code               4066468