Introduction of ferrocene-containing [2]rotaxanes onto siloxane, silsesquioxane and polysiloxanes via click chemistry.
Yu, Gilbert; Suzaki, Yuji; Abe, Tomoko; Osakada, Kohtaro; Dalton transactions (Cambridge, England : 2003) 42 (2013) 1476–1482; doi:10.1039/c2dt31406a

data_7020648
_publ_section_title
;
 Introduction of ferrocene-containing [2]rotaxanes onto siloxane,
 silsesquioxane and polysiloxanes via click chemistry.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1476
_journal_page_last               1482
_journal_paper_doi               10.1039/c2dt31406a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C50 H68 F6 Fe N O10 P'
_chemical_formula_sum            'C50 H68 F6 Fe N O10 P'
_chemical_formula_weight         1043.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.146(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.108(4)
_cell_length_b                   24.054(9)
_cell_length_c                   21.012(8)
_cell_measurement_reflns_used    15848
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.03
_cell_volume                     5105(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
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_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.405
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.844
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2200.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         2.790
_refine_diff_density_min         -0.448
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8012
_refine_ls_number_restraints     16
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0125Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1154
_reflns_number_gt                8012
_reflns_number_total             11405
_reflns_threshold_expression     F>3.0\s(F)
_cod_data_source_file            c2dt31406a.txt
_cod_data_source_block           '[(DB24C8)4]/AcOEt'
_cod_original_cell_volume        5105(4)
_cod_database_code               7020648