Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.; Acta Crystallographica Section C 76 (2020) 695–705; doi:10.1107/S2053229620008384

data_2022218
_publ_section_title
;
 Chiral anionic layers in tartramide spiroborate salts and variable
 solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
;
_journal_coeditor_code           FM3065
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              695
_journal_page_last               705
_journal_paper_doi               10.1107/S2053229620008384
_journal_volume                  76
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C12 H28 N +, C8 H12 B N4 O8 -'
_chemical_formula_sum            'C20 H40 B N5 O8'
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_chemical_name_systematic
;
Tetrapropylazanium
2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5\l^4^-boraspiro[4.4]nonane
;
_space_group_crystal_system      monoclinic
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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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;
CrysAlis PRO (Rigaku OD, 2015)
;
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;
CrysAlis PRO (Rigaku OD, 2015)
;
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CrysAlis PRO (Rigaku OD, 2015)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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'Rigaku OD SuperNova Dual source diffractometer with an Atlas detector'
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;
(CrysAlis PRO; Rigaku OD, 2015)
;
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;
Flack <i>x</i> determined using 1970 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.06(7)
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
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_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+0.0425P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0603
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_cod_original_cell_volume        1235.12(4)
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_cod_database_fobs_code          2022218
_shelx_estimated_absorpt_t_min   0.885
_shelx_estimated_absorpt_t_max   0.921
_shelx_hkl_checksum              4684
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