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_4301400
_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_moiety         'C128 H16 Ag N5 O3, 0.5(C H4 O), C H2 Cl2'
_chemical_formula_sum            'C129.5 H20 Ag Cl2 N5 O3.5'
_chemical_formula_weight         1880.28
_chemical_name_common            (AgNO~3~)(C60pip)~2~.CH~2~Cl~2~.0.5CH~3~OH
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.923(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0274(10)
_cell_length_b                   36.014(4)
_cell_length_c                   18.9837(18)
_cell_measurement_reflns_used    1018
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      3.5
_cell_volume                     6654.1(12)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART Apex I'
_diffrn_measurement_method       \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  0.178
_diffrn_reflns_av_sigmaI/netI    0.1300
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            59807
_diffrn_reflns_theta_full        24.93
_diffrn_reflns_theta_max         24.93
_diffrn_reflns_theta_min         2.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.471
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3764
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1274
_refine_ls_number_reflns         11611
_refine_ls_number_restraints     722
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0672P)^2^+4.9978P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                6597
_reflns_number_total             11599
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic8012427_si_001_2.cif
_cod_data_source_block           mn1535
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C129.50 H20 Ag Cl2 N5 O3.50'
_cod_database_code               4301400