Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes
Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier; Organometallics 25 (2006) 4331–; doi:10.1021/om0604526

data_4074189
_publ_section_title
;
 Influence of the Pt\\rightarrow Ag Donor&#x2212;Acceptor Bond and
 Polymorphism on the Spectroscopic and Optical Properties of
 Heteropolynuclear Benzoquinolateplatinum(II) Complexes
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4331
_journal_paper_doi               10.1021/om0604526
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C66 H52 Ag F20 N3 Pt2'
_chemical_formula_weight         1765.16
_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
_cell_angle_alpha                107.5230(10)
_cell_angle_beta                 91.3950(10)
_cell_angle_gamma                108.4580(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6670(2)
_cell_length_b                   15.5160(3)
_cell_length_c                   20.2550(5)
_cell_measurement_temperature    123(1)
_cell_volume                     3005.71(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10573
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    5.073
_exptl_absorpt_correction_T_max  0.7855
_exptl_absorpt_correction_T_min  0.4302
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.673
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     832
_refine_ls_number_reflns         10573
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0332
_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^)+(0.0153P)^2^+11.0803P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0641
_reflns_number_gt                8782
_reflns_number_total             10573
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0604526si20060523_120337.cif
_cod_data_source_block           3b
_cod_database_code               4074189