High yield synthesis of a new fullerene linker and its use in the formation of a linear coordination polymer by silver complexation.
Peng, Ping; Li, Fang-Fang; Bowles, Faye L.; Neti, Venkata S Pavan K; J Metta-Magana, Alejandro; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis; Chemical communications (Cambridge, England) 49 (2013) 3209–3211; doi:10.1039/c3cc40697k

data_7112386
_publ_section_title
;
 High yield synthesis of a new fullerene linker and its use in the
 formation of a linear coordination polymer by silver complexation.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3209
_journal_page_last               3211
_journal_paper_doi               10.1039/c3cc40697k
_journal_volume                  49
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety
'C138 H84 Ag2 N4 O16, 2(B F4), C7 H8, C H2 Cl2'
_chemical_formula_sum            'C146 H94 Ag2 B2 Cl2 F8 N4 O16'
_chemical_formula_weight         2620.51
_chemical_name_common            'Compound 4b'
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_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                95.111(4)
_cell_angle_beta                 104.941(4)
_cell_angle_gamma                94.393(4)
_cell_formula_units_Z            1
_cell_length_a                   11.0646(9)
_cell_length_b                   15.0722(11)
_cell_length_c                   17.0040(12)
_cell_measurement_reflns_used    9615
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.6
_cell_measurement_theta_min      2.6
_cell_volume                     2714.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'Apex2 (Bruker, 2011)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART ApexII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  silicon
_diffrn_radiation_source         'Beamline 11.3.1, ALS'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            92741
_diffrn_reflns_theta_full        37.73
_diffrn_reflns_theta_max         37.73
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.62
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.631
_refine_diff_density_min         -1.728
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.307(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1612
_refine_ls_number_reflns         41708
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0884P)^2^+1.5565P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1421
_reflns_number_gt                38850
_reflns_number_total             41708
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c3cc40697k.txt
_cod_data_source_block           mn2104
_cod_database_code               7112386