The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.; Acta Crystallographica Section C 75 (2019) 178–188; doi:10.1107/S2053229618018314

data_2021449
_publ_section_title
;
 The role of \p--\p stacking and hydrogen-bonding interactions in the
 assembly of a series of isostructural group IIB coordination compounds
;
_journal_coeditor_code           SK3704
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              178
_journal_page_last               188
_journal_paper_doi               10.1107/S2053229618018314
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Zn I2 (C28 H26 N2 O4)]'
_chemical_formula_moiety         'C28 H26 I2 N2 O4 Zn'
_chemical_formula_sum            'C28 H26 I2 N2 O4 Zn'
_chemical_formula_weight         773.68
_chemical_name_systematic
Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-\k<i>O</i>)zinc(II)
_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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;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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_cell_length_b                   10.020(2)
_cell_length_c                   16.248(4)
_cell_measurement_reflns_used    4135
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      4.427
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_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2015)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015a)
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SHELXT (Sheldrick, 2015b)
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_diffrn_ambient_temperature      100(2)
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;
(TWINABS; Bruker, 2012)
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1055P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 2021448--2021453.cif.'
_cod_original_cell_volume        1356.7(6)
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_shelx_estimated_absorpt_t_min   0.669
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_shelx_hkl_checksum              14113
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