data_3000417
loop_
_publ_author_name
'Toms Rekis'
_journal_name_full               'To be published'
_chemical_formula_sum            'C13 H17 B N6'
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.4652(16)
_cell_angle_gamma                90
_cell_length_a                   8.94470(10)
_cell_length_b                   10.3069(2)
_cell_length_c                   17.2111(4)
_cell_measurement_temperature    100
_cell_volume                     1573.28(5)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.5
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0597
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0755
_cod_database_code               3000417
_cod_hold_until_date             2023-09-20
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
