Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles
Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang; Journal of the American Chemical Society 125 (2003) 5193–5198; doi:10.1021/ja030018k

data_4113687
_publ_section_title
;
 Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5193
_journal_page_last               5198
_journal_paper_doi               10.1021/ja030018k
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C144 H228 N12 O18 P12 Pt6'
_chemical_formula_weight         3957.56
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 99.3660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4887(2)
_cell_length_b                   41.3852(10)
_cell_length_c                   23.0853(6)
_cell_measurement_temperature    200(2)
_cell_volume                     9887.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21481
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    4.376
_exptl_absorpt_correction_T_max  0.4748
_exptl_absorpt_correction_T_min  0.3738
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.318
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         12183
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1434
_refine_ls_R_factor_gt           0.0928
_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^)+(0.1891P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2755
_refine_ls_wR_factor_ref         0.3021
_reflns_number_gt                6105
_reflns_number_total             12183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja030018k_2.cif
_cod_data_source_block           7
_cod_database_code               4113687