Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties
Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng; Chemical Science 3 (2012) 2282–; doi:10.1039/c2sc20187a

data_1515065
_publ_section_title
;
 Pb(ii) metal--organic nanotubes based on cyclodextrins: biphasic
 synthesis, structures and properties
;
_journal_issue                   7
_journal_name_full               'Chemical Science'
_journal_page_first              2282
_journal_paper_doi               10.1039/c2sc20187a
_journal_volume                  3
_journal_year                    2012
_chemical_formula_sum            'C96 H128 O89 Pb16'
_chemical_formula_weight         6021.02
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 94.783(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.126(3)
_cell_length_b                   18.866(3)
_cell_length_c                   22.188(4)
_cell_measurement_temperature    200(2)
_cell_volume                     8395(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0743
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56683
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    16.068
_exptl_absorpt_correction_T_max  0.2964
_exptl_absorpt_correction_T_min  0.1967
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5456
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.115
_refine_diff_density_min         -1.337
_refine_diff_density_rms         0.348
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.041(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1790
_refine_ls_number_reflns         28929
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1041P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1613
_reflns_number_gt                24812
_reflns_number_total             28929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2sc20187a.txt
_cod_data_source_block           p3
_cod_original_sg_symbol_H-M      P21
_cod_database_code               1515065