Synthesis and characterization of a trans-1 hexakis-fullerene linker that forms crystalline polymers with silver salts.
Chen, Chia-Hsiang; Aghabali, Amineh; Metta-Magana, Alejandro J; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18487–18491; doi:10.1039/c5dt03054d

data_7036701
_publ_section_title
;
 Synthesis and characterization of a trans-1 hexakis-fullerene linker that
 forms crystalline polymers with silver salts.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18487
_journal_page_last               18491
_journal_paper_doi               10.1039/c5dt03054d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '2(C59 H32 Ag N2 O12 P F6), 2(C2 H3 N)'
_chemical_formula_sum            'C122 H70 Ag2 F12 N6 O24 P2'
_chemical_formula_weight         2509.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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-2014/7
_audit_update_record
;
2015-08-06 deposited with the CCDC.
2015-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                72.474(2)
_cell_angle_beta                 81.9800(18)
_cell_angle_gamma                78.445(2)
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_cell_length_b                   14.1537(6)
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_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      3.32
_cell_volume                     2740.32(19)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'Apex2 (Bruker, 2013)'
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_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker ApexDUO'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39479
_diffrn_reflns_point_group_measured_fraction_full 0.966
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_diffrn_reflns_theta_max         63.684
_diffrn_reflns_theta_min         2.273
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.6088
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       needle
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_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.515
_refine_diff_density_min         -1.028
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8706
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_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0884
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_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1893P)^2^+4.9619P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2323
_refine_ls_wR_factor_ref         0.2499
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7026
_reflns_number_total             8706
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03054d2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7036700--7036702.cif.'
_cod_original_cell_volume        2740.3(2)
_cod_database_code               7036701
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.502
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_shelx_res_checksum              275
_shelx_fab_checksum              50810