Luminescent Mononuclear Ag(I)-Bis(diphosphine) Complexes: Correlation between the Photophysics and the Structures of Mononuclear Ag(I)-Bis(diphosphine) Complexes
Kenji Matsumoto; Takao Shindo; Naoki Mukasa; Toshiaki Tsukuda; Taro Tsubomura; Inorganic Chemistry 49 (2010) 805–814; doi:10.1021/ic900203x

data_4314619
_publ_contact_author_address
;
 3-3-1 Kichijoji-kitamachi, Musashino, Tokyo, Japan 180-8633
;
_publ_contact_author_email       tsubomura@st.seikei.ac.jp
_publ_contact_author_fax         +81-422-37-3871
_publ_contact_author_name        ' Taro Tsubomura'
_publ_contact_author_phone       +81-422-37-3752
_publ_section_title
;
 Luminescent Mononuclear Ag(I)-Bis(diphosphine) Complexes: Correlation
 between the Photophysics and the Structures of Mononuclear
 Ag(I)-Bis(diphosphine) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              805
_journal_page_last               814
_journal_paper_doi               10.1021/ic900203x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C60 H48 Ag N O3 P4 '
_chemical_formula_sum            'C60 H48 Ag N O3 P4'
_chemical_formula_weight         1062.81
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_audit_creation_date             2008-11-13
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.2893(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.676(7)
_cell_length_b                   12.464(6)
_cell_length_c                   14.941(7)
_cell_measurement_reflns_used    7605
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2479(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29252
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.583
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1092.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5477
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0419P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                4754
_reflns_number_total             5477
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic900203x_si_005.cif
_cod_data_source_block           '__bz-CHCl32'
_cod_original_cell_volume        2478.7(20)
_cod_original_formula_sum        'C60 H48 Ag N O3 P4 '
_cod_database_code               4314619