Information card for entry 7003676

Structure parameters

• Formula: C15 H20 N4 O6
• Calculated formula: C15 H20 N4 O6
• SMILES: O1[C@@H](OCCn2nnc(c3ncccc3)c2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• Title of publication: Syntheses, structural characterization and photophysical properties of 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes
• Authors of publication: Obata, Makoto; Kitamura, Asuka; Mori, Akemi; Kameyama, Chiaki; Czaplewska, Justyna A.; Tanaka, Rika; Kinoshita, Isamu; Kusumoto, Toshiyuki; Hashimoto, Hideki; Harada, Masafumi; Mikata, Yuji; Funabiki, Takuzo; Yano, Shigenobu
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3292 - 3300
• a: 11.56 ± 0.004 Å
• b: 5.4449 ± 0.0017 Å
• c: 13.267 ± 0.005 Å
• α: 90°
• β: 100.247 ± 0.004°
• γ: 90°
• Cell volume: 821.7 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No