A Kinetic Study of Mechanochemical Halogen Bond Formation by In-situ 31P Solid-State NMR Spectroscopy
Xu, Yijue; Champion, Lysiane; Gabidullin, Bulat; Bryce, David L.; Chem. Commun.  (2017) –; doi:10.1039/C7CC05051H

data_7120551
_publ_section_title
;
 A Kinetic Study of Mechanochemical Halogen Bond Formation by In-situ 31P
 Solid-State NMR Spectroscopy
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC05051H
_journal_year                    2017
_chemical_formula_sum            'C69 H45 F10 I5 O3 P3'
_chemical_formula_weight         1839.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-27 deposited with the CCDC.
2017-08-14 downloaded from the CCDC.
;
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_cell_measurement_temperature    200(2)
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_computing_cell_refinement       'APEX II, Bruker (2009)'
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_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0246P)^2^+2.3182P] where P=(Fo^2^+2Fc^2^)/3'
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