Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly
Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang; Journal of Organic Chemistry 77 (2012) 3426–3432; doi:10.1021/jo300016a

data_4027109
_publ_section_title
;
 Synthesis of Triangular Metallodendrimers via Coordination-Driven
 Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3426
_journal_page_last               3432
_journal_paper_doi               10.1021/jo300016a
_journal_volume                  77
_journal_year                    2012
_chemical_formula_sum            'C52 H80 Br2 O2 P4 Pt2'
_chemical_formula_weight         1411.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 113.891(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.4794(12)
_cell_length_b                   45.447(3)
_cell_length_c                   16.3605(12)
_cell_measurement_temperature    173(2)
_cell_volume                     11203.2(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0964
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            128921
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    6.566
_exptl_absorpt_correction_T_max  0.4197
_exptl_absorpt_correction_T_min  0.1521
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_description       block
_exptl_crystal_F_000             5552
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.564
_refine_diff_density_min         -4.356
_refine_diff_density_rms         0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.267
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1117
_refine_ls_number_reflns         19750
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.265
_refine_ls_R_factor_all          0.1345
_refine_ls_R_factor_gt           0.1150
_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^)+(0.0001P)^2^+862.9016P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2402
_refine_ls_wR_factor_ref         0.2482
_reflns_number_gt                16044
_reflns_number_total             19750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo300016a_si_002.cif
_cod_data_source_block           z
_cod_original_cell_volume        11203.1(14)
_cod_database_code               4027109