Transformable Nanostructures of Platinum-Containing Organosilane Hybrids: Non-covalent Self-Assembly of Polyhedral Oligomeric Silsesquioxanes Assisted by Pt···Pt and π-π Stacking Interactions of Alkynylplatinum(II) Terpyridine Moieties.
Au-Yeung, Ho-Leung; Leung, Sammual Yu-Lut; Tam, Anthony Yiu-Yan; Yam, Vivian Wing-Wah; Journal of the American Chemical Society  (2014) 141219093104001–; doi:10.1021/ja510048b

data_4123145
_publ_section_title
;
 Transformable Nanostructures of Platinum-Containing Organosilane Hybrids:
 Non-covalent Self-Assembly of Polyhedral Oligomeric Silsesquioxanes
 Assisted by Pt&#x00B7;&#x00B7;&#x00B7;Pt and \p-\p Stacking Interactions
 of Alkynylplatinum(II) Terpyridine Moieties.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              141219093104001
_journal_paper_doi               10.1021/ja510048b
_journal_year                    2014
_chemical_formula_moiety
'C38 H39 Cl N3 O14 Pt Si8, C F3 O3 S, 2(C H2 Cl2)'
_chemical_formula_sum            'C41 H43 Cl5 F3 N3 O17 Pt S Si8'
_chemical_formula_weight         1535.90
_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                92.624(1)
_cell_angle_beta                 91.737(1)
_cell_angle_gamma                101.022(1)
_cell_formula_units_Z            2
_cell_length_a                   9.1551(1)
_cell_length_b                   9.1571(1)
_cell_length_c                   35.8168(5)
_cell_measurement_reflns_used    17444
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.60
_cell_measurement_theta_min      9.10
_cell_volume                     2941.86(6)
_computing_cell_refinement       'APEX (Bruker, 2010)'
_computing_data_collection       'APEX (Bruker, 2010)'
_computing_data_reduction        'APEX (Bruker, 2010)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX CCD detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0666
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            17444
_diffrn_reflns_theta_full        66.60
_diffrn_reflns_theta_max         66.60
_diffrn_reflns_theta_min         9.10
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.125
_exptl_absorpt_correction_T_max  0.5289
_exptl_absorpt_correction_T_min  0.1377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.652
_refine_diff_density_min         -1.643
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     815
_refine_ls_number_reflns         9553
_refine_ls_number_restraints     199
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0605
_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^)+(0.0844P)^2^+14.7117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1594
_refine_ls_wR_factor_ref         0.1601
_reflns_number_gt                9339
_reflns_number_total             9553
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja510048b_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        2941.85(6)
_cod_database_code               4123145