Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases
Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.; Physical Chemistry Chemical Physics  (2019) –; doi:10.1039/C9CP03764K

data_7233371
_publ_section_title
;
 Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and
 Condensed Phases
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/C9CP03764K
_journal_year                    2019
_chemical_formula_moiety         'C33 H49 N4 O3, 0.5(C6 H6), Br'
_chemical_formula_sum            'C36 H52 Br N4 O3'
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_space_group_name_Hall           '-C 2yc'
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_symmetry_space_group_name_Hall  '-C 2yc'
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Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
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2019-03-06 deposited with the CCDC.    2019-08-12 downloaded from the CCDC.
;
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Bruker APEX2 v2014.11-0
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shelXL v2014/7
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'shelXS-97'
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+12.8587P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_max   0.877
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