data_3000620
loop_
_publ_author_name
'Yau, Marc Alec'
'Kosugi, Kento'
'Nakane, Takanori'
'Ohnishi, Yusuke'
'Harada, Mai'
'Kusaka, Shinpei'
'Kawamoto, Akihiro'
'Yamashita, Eiki'
'Kurisu, Genji'
'Matsuda, Ryotaro'
'Kitagawa, Yasutaka'
'Kambe, Tetsuya'
'Kondo, Mio'
'Masaoka, Shigeyuki'
_journal_name_full               'To be published'
_chemical_formula_sum            'C124 H92 Cu N4'
_chemical_name_common            CuBPPy
_chemical_name_systematic
'((5,10,15,20-tetrakis(4-(7-tert-butyl)pyren-2-yl)phenyl) porphyrinato copper(II))'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                78.52(5)
_cell_angle_beta                 80.40(5)
_cell_angle_gamma                84.10(5)
_cell_length_a                   9.307(9)
_cell_length_b                   21.99(2)
_cell_length_c                   23.57(2)
_cell_measurement_temperature    79
_cell_volume                     4649(7)
_diffrn_ambient_temperature      79.00
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.796
_refine_ls_R_factor_all          0.2893
_refine_ls_wR_factor_gt          0.3939
_cod_database_code               3000620
_cod_hold_until_date             2026-04-06
_cod_depositor_requested_release_date 2026-04-06
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
