Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions
Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.; CrystEngComm 23 (2021) 2384–2395; doi:10.1039/D0CE01730B

data_7242318
_publ_section_title
;
 Synthesis and supramolecular organization of the iodide and triiodides of
 a polycyclic adamantane-based diammonium cation: the effects of hydrogen
 bonds and weak I&#x22EF;I interactions
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              2384
_journal_page_last               2395
_journal_paper_doi               10.1039/D0CE01730B
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C10 H20 N2, I3, I'
_chemical_formula_sum            'C10 H20 I4 N2'
_chemical_formula_weight         675.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2020-09-28 deposited with the CCDC.	2021-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                95.7390(10)
_cell_angle_beta                 98.8219(9)
_cell_angle_gamma                96.0700(9)
_cell_formula_units_Z            2
_cell_length_a                   8.15439(12)
_cell_length_b                   8.70472(13)
_cell_length_c                   13.0978(2)
_cell_measurement_temperature    293
_cell_volume                     907.14(2)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Image plate'
_diffrn_measurement_device_type  'Huber 670'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuKa
_diffrn_radiation_wavelength     1.54059
_exptl_absorpt_coefficient_mu    54.361
_exptl_crystal_density_diffrn    2.4745
_exptl_crystal_F_000             612
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        84.915
_pd_meas_2theta_range_min        3.000
_pd_meas_number_of_points        16384
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        84.915
_pd_proc_2theta_range_min        4.005
_pd_proc_ls_background_function  '17 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0294
_pd_proc_ls_prof_wR_expected     0.0282
_pd_proc_ls_prof_wR_factor       0.0372
_refine_ls_goodness_of_fit_all   1.32
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    92
_refine_ls_number_parameters     103
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.6296
_refine_ls_shift/su_mean         0.073
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0342
_refine_ls_wR_factor_gt          0.0342
_publcif_datablock.id            {07922a0a-bfa4-470e-9475-77df1f8d54af}
_cod_data_source_file            d0ce01730b2.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 7242315--7242318.cif.'
_cod_database_code               7242318