Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage
Hua Jiang; Wenbin Lin; Journal of the American Chemical Society 128 (2006) 11286–11297; doi:10.1021/ja0633013

data_4110848
_publ_section_title
;
 Directed Assembly of Mesoscopic Metallocycles with Controllable Size,
 Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11286
_journal_page_last               11297
_journal_paper_doi               10.1021/ja0633013
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C160 H200 O8 P8 Pt4'
_chemical_formula_weight         3279.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 126.653(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   36.603(16)
_cell_length_b                   12.976(6)
_cell_length_c                   25.145(12)
_cell_measurement_temperature    293(2)
_cell_volume                     9581(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_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  0.0728
_diffrn_reflns_av_sigmaI/netI    0.1342
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8139
_diffrn_reflns_theta_full        20.00
_diffrn_reflns_theta_max         20.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.021
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_F_000             3312
_refine_diff_density_max         2.281
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.201
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.19(4)
_refine_ls_extinction_coef       0.0017(2)
_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   1.125
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         6920
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.1915
_refine_ls_R_factor_gt           0.1402
_refine_ls_shift/su_max          1.910
_refine_ls_shift/su_mean         0.143
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1559P)^2^+442.1550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3322
_refine_ls_wR_factor_ref         0.3578
_reflns_number_gt                4804
_reflns_number_total             6920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0633013si20060511_113338_2.cif
_cod_data_source_block           (RSRS)-tetramer
_cod_original_cell_volume        9582(7)
_cod_database_code               4110848