Information card for entry 7024628

Structure parameters

• Common name: zn-hqxc-dmso
• Formula: C28 H20 N6 O6 Zn
• Calculated formula: C28 H20 N6 O6 Zn
• SMILES: c12c(nc3c(cccc3)[n]1[Zn]1([n]3ccccc3)(OC2=O)([n]2ccccc2)[n]2c(c(nc3c2cccc3)O)C(=O)O1)O
• 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: 35.8455 ± 0.0018 Å
• b: 10.1477 ± 0.0005 Å
• c: 14.0206 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5100 ± 0.5 ų
• Cell temperature: 89.1 K
• Ambient diffraction temperature: 89.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No