Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that Complexes Bis-metals in the Core
Alagar Srinivasan; Tomoya Ishizuka; Atsuhiro Osuka; Hiroyuki Furuta; Journal of the American Chemical Society 125 (2003) 878–879; doi:10.1021/ja029018v

data_4113405
_publ_section_title
;
 Doubly N-Confused Hexaphyrin: A Novel Aromatic Expanded Porphyrin that
 Complexes Bis-metals in the Core
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              878
_journal_page_last               879
_journal_paper_doi               10.1021/ja029018v
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C74 H24 F30 N10 O2 '
_chemical_formula_sum            'C74 H24 F30 N10 O2'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 80.591(2)
_cell_angle_gamma                90
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_cell_length_b                   12.2522(8)
_cell_length_c                   24.011(1)
_cell_measurement_reflns_used    24364
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     3416.6(3)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9805
_diffrn_measured_fraction_theta_max 0.9805
_diffrn_radiation_type           'Mo K\a'
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            violet
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_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.60
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
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_cod_data_source_block           '_NC-hexa-FB_(5)______________'
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