A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond
Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito; Journal of the American Chemical Society 123 (2001) 743–744; doi:10.1021/ja002906a

data_4115426
_publ_contact_author_address
;
Department of Chemistry, Graduate School of Science,
Tohoku University,Sendai  980-8578, JAPAN
;
_publ_contact_author_email       ' yamaguchi@agnus.chem.tohoku.ac.jp '
_publ_contact_author_fax         ' +81 22 217 6548 '
_publ_contact_author_name        ' Tadashi YAMAGUCHI '
_publ_contact_author_phone       ' +81 22 217 6547 '
_publ_section_title
;
 A Helical Metal-Metal Bonded Chain via the Pt\\rightarrowAg Dative Bond
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              743
_journal_page_last               744
_journal_paper_doi               10.1021/ja002906a
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C63 H54 Ag2 Cl2 N6 O11 Pt3 S6'
_chemical_formula_weight         2135.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.625(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7243(9)
_cell_length_b                   23.9731(12)
_cell_length_c                   16.9345(9)
_cell_measurement_temperature    213(2)
_cell_volume                     6789.2(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    ORTEP
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF PATTY'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            43542
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    7.052
_exptl_absorpt_correction_T_max  0.475379
_exptl_absorpt_correction_T_min  0.273797
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.089
_exptl_crystal_description       plate
_exptl_crystal_F_000             4080
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.768
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.630
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     838
_refine_ls_number_reflns         15336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.630
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.053
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                9604
_reflns_number_total             15336
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja002906a_2.cif
_cod_data_source_block           PtthAgClO4
_cod_database_code               4115426