Information card for entry 7024629

Structure parameters

• Common name: zn-hqxc-dmso
• Formula: C22 H22 N4 O8 S2 Zn
• Calculated formula: C22 H22 N4 O8 S2 Zn
• SMILES: [O]([Zn]12([N]3c4ccccc4N=C(C=3C(=O)O1)O)([n]1c3ccccc3nc(c1C(=O)O2)O)[O]=S(C)C)=S(C)C
• Title of publication: Excited state intramolecular proton transfer (ESIPT) in six-coordinated zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their fluorescent properties sensitive to axial positions.
• Authors of publication: Sakai, Ken-Ichi; Takahashi, Sami; Kobayashi, Ataru; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Dosen, Masaaki; Kato, Masako; Nagashima, Umpei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 1989 - 1995
• a: 9.7056 ± 0.0004 Å
• b: 10.0802 ± 0.0006 Å
• c: 12.84 ± 0.0005 Å
• α: 90°
• β: 109.655 ± 0.0012°
• γ: 90°
• Cell volume: 1183 ± 0.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No