Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores
Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang; Journal of the American Chemical Society 129 (2007) 2120–2129; doi:10.1021/ja066804h

data_4109096
_publ_section_title
;
 Coordination-Driven Self-Assembly of Metallodendrimers Possessing
 Well-Defined and Controllable Cavities as Cores
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2120
_journal_page_last               2129
_journal_paper_doi               10.1021/ja066804h
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C158 H196 Cl2 N8 O10 P8 Pt4'
_chemical_formula_weight         3394.25
_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                79.705(3)
_cell_angle_beta                 78.901(3)
_cell_angle_gamma                76.468(3)
_cell_formula_units_Z            1
_cell_length_a                   14.111(3)
_cell_length_b                   14.348(3)
_cell_length_c                   26.476(5)
_cell_measurement_temperature    273(2)
_cell_volume                     5063.7(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.1471
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            56271
_diffrn_reflns_theta_full        30.19
_diffrn_reflns_theta_max         30.19
_diffrn_reflns_theta_min         0.79
_exptl_absorpt_coefficient_mu    2.893
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_F_000             1810
_refine_diff_density_max         4.546
_refine_diff_density_min         -1.797
_refine_diff_density_rms         0.297
_refine_ls_extinction_coef       0.0033(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     947
_refine_ls_number_reflns         28106
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1652
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          3.580
_refine_ls_shift/su_mean         0.140
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1458P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2211
_refine_ls_wR_factor_ref         0.2695
_reflns_number_gt                14701
_reflns_number_total             28106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja066804hsi20060920_112634.cif
_cod_data_source_block           nd3
_cod_original_cell_volume        5063.8(18)
_cod_database_code               4109096