Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.
Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 13061–; doi:10.1039/c4dt01153h

data_7031547
_publ_section_title
;
 Design, crystal structures and magnetic properties of anionic salts
 containing fullerene C60 and indium(iii) bromide phthalocyanine radical
 anions.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13061
_journal_paper_doi               10.1039/c4dt01153h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
'C32 H16 N8 In Br, 0.5(C120), 3(C16 H36 N), C6 H4 Cl2, Br'
_chemical_formula_sum            'C146 H128 Br2 Cl2 In N11'
_chemical_formula_weight         2382.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.3410(10)
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_cell_length_b                   17.4625(14)
_cell_length_c                   39.938(3)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.30
_cell_volume                     11135.5(15)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 1.001
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -47
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_diffrn_reflns_point_group_measured_fraction_full 0.956
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;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction 
;
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_refine_diff_density_rms         0.126
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0741P)^2^+79.6765P] 
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           3TBA_C60_InBrPc_Br_C6H4Cl2_100_K
_cod_depositor_comments
'Adding full bibliography for 7031547--7031549.cif.'
_cod_original_cell_volume        11135.5(16)
_cod_database_code               7031547
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