Information card for entry 7024630

Structure parameters

• Common name: zn-hqxc-dmso
• Formula: C9 H6 N2 O3
• Calculated formula: C9 H6 N2 O3
• SMILES: O=c1[nH]c2ccccc2nc1C(=O)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: 7.4307 ± 0.0007 Å
• b: 7.8217 ± 0.0007 Å
• c: 15.6209 ± 0.0013 Å
• α: 93.707 ± 0.003°
• β: 102.937 ± 0.003°
• γ: 111.884 ± 0.004°
• Cell volume: 810.01 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No