Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide
Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.; Acta Crystallographica Section E Crystallographic Communications 81 (2025) –; doi:10.1107/S2056989025000180

data_2023353
_publ_section_title
;
 Crystal structures of zinc(II) coordination complexes with isoquinoline
 N-oxide
;
_journal_coeditor_code           HB8119
_journal_issue                   2
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989025000180
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          '[Zn I2 (C9 H7 N1 O1)2]'
_chemical_formula_moiety         'C18 H14 I2 N2 O2 Zn'
_chemical_formula_sum            'C18 H14 I2 N2 O2 Zn'
_chemical_formula_weight         609.48
_chemical_name_systematic
;
Diiodidobis(isoquinoline <i>N</i>-oxide-\k<i>O</i>)zinc(II)
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
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CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)
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CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)
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CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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SHELXL 2018/3 (Sheldrick, 2015b)
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<i>SHELXT</i> (Sheldrick, 2015a)
;
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;
(CrysAlisPro; Rigaku OD, 2019)
;
_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_description       irregular
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+0.3875P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_min   0.330
_shelx_estimated_absorpt_t_max   0.776
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