Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.
Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad; Inorganic chemistry 55 (2016) 13014–13026; doi:10.1021/acs.inorgchem.6b02544

data_4349340
_publ_section_title
;
 Induction and Rationalization of Supramolecular Chirality in the
 Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              13014
_journal_page_last               13026
_journal_paper_doi               10.1021/acs.inorgchem.6b02544
_journal_volume                  55
_journal_year                    2016
_chemical_absolute_configuration R
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_cell_length_c                   22.2385(15)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
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_cell_volume                     3681.4(4)
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_refine_ls_abs_structure_details
;
 Flack x determined using 2383 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(18)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0794P)^2^+0.5037P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_hkl_checksum              48465
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