Formation of Crystalline Polymers from the Reaction of Amine-Functionalized C60 with Silver Salts
Christopher J. Chancellor; Marilyn M. Olmstead; Alan L. Balch; Inorganic Chemistry 48 (2009) 1339–1345; doi:10.1021/ic8012427

data_4301399
_publ_section_title
;
Formation of Crystalline Polymers from the Reaction of Amine-Functionalized
C60 with Silver Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1339
_journal_page_last               1345
_journal_paper_doi               10.1021/ic8012427
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C69 H8 Ag2 F6 N2 O4 S2'
_chemical_formula_weight         1322.63
_chemical_name_common            '[Ag(triflate)]2(C60pip).CS2'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                75.157(4)
_cell_angle_beta                 87.116(4)
_cell_angle_gamma                87.845(6)
_cell_formula_units_Z            4
_cell_length_a                   9.9780(18)
_cell_length_b                   19.413(4)
_cell_length_c                   22.522(6)
_cell_measurement_reflns_used    980
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      3.0
_cell_volume                     4210.3(16)
_computing_cell_refinement       'Bruker (2003)'
_computing_data_collection       'Bruker (2003)'
_computing_data_reduction        'SAINT  (2003)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\f and \w'
_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  0.0545
_diffrn_reflns_av_sigmaI/netI    0.0964
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            59218
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.9955
_exptl_absorpt_correction_T_min  0.7006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.005
_refine_diff_density_max         1.717
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         18029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0482
_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^)+(0.0564P)^2^+1.6678P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                11684
_reflns_number_total             18029
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic8012427_si_001_1.cif
_cod_data_source_block           mn1526
_cod_database_code               4301399