Brønsted and Lewis acid adducts of triazenes.
Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2317–2322; doi:10.1039/d0dt00049c

data_7703449
_publ_section_title
;
 Br\/onsted and Lewis acid adducts of triazenes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2317
_journal_page_last               2322
_journal_paper_doi               10.1039/d0dt00049c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H23 B F15 N3'
_chemical_formula_sum            'C30 H23 B F15 N3'
_chemical_formula_weight         721.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-11-20 deposited with the CCDC.	2020-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   19.1659(5)
_cell_length_b                   18.1081(5)
_cell_length_c                   35.2711(11)
_cell_measurement_reflns_used    11612
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.1240
_cell_measurement_theta_min      5.0070
_cell_volume                     12241.1(6)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Mercury 4.2.0 (CCDC, 2019)'
_computing_publication_material  'CIFTab (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1333
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w   -117.00 -18.00   1.00   10.00    --  -42.20 -37.00  90.00   99
  2  \w    -66.00  24.00   1.00   10.00    --  -42.20  37.00 -90.00   90
  3  \w   -116.00 -24.00   1.00   10.00    --  -42.20 -37.00   0.00   92
  4  \w      1.00  81.00   1.00   10.00    --   42.20 -99.00 -30.00   80
  5  \w     50.00  86.00   1.00   10.00    --   42.20-125.00-180.00   36
  6  \w     50.00  77.00   1.00   10.00    --   42.20-125.00 -90.00   27
  7  \w     94.00 121.00   1.00   40.00    --  110.51-125.00 -60.00   27
  8  \w    100.00 143.00   1.00   40.00    --  110.51  45.00   0.00   43
  9  \w     52.00 109.00   1.00   40.00    --  110.51 -94.00   0.00   57
 10  \w     39.00 140.00   1.00   40.00    --  110.51 -61.00   0.00  101
 11  \w     49.00 139.00   1.00   40.00    --  110.51 -30.00 120.00   90
 12  \w     38.00 132.00   1.00   40.00    --  110.51 -45.00-120.00   94
 13  \w     68.00 104.00   1.00   40.00    --  110.51 -94.00 -90.00   36
 14  \w     97.00 124.00   1.00   40.00    --  110.51  61.00 -90.00   27
 15  \w    106.00 177.00   1.00   40.00    --  110.51  61.00 -60.00   71
 16  \w     36.00 138.00   1.00   40.00    --  110.51 -77.00 150.00  102
 17  \w     48.00 122.00   1.00   40.00    --  110.51-125.00-180.00   74
 18  \w     29.00 149.00   1.00   40.00    --  110.51 -15.00 -30.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0816
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            91492
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.291
_diffrn_reflns_theta_min         3.584
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.404
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.401
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_description       needle
_exptl_crystal_F_000             5824
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.093
_refine_diff_density_max         0.442
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.000034(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         12733
_refine_ls_number_restraints     128
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0594P)^2^+5.4552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1374
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8559
_reflns_number_total             12733
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00049c2.cif
_cod_data_source_block           fmc144
_cod_depositor_comments
'Adding full bibliography for 7703444--7703450.cif.'
_cod_database_code               7703449
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.583
_shelx_estimated_absorpt_t_max   0.881
_shelx_res_checksum              35404