Information card for entry 7003675

Structure parameters

• Formula: C17 H12 Cl N4 O3 Re
• Calculated formula: C17 H12 Cl N4 O3 Re
• SMILES: [Re]1(Cl)([n]2ccccc2c2[n]1nn(c2)Cc1ccccc1)(C#[O])(C#[O])C#[O]
• 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: 6.6557 ± 0.0005 Å
• b: 20.5809 ± 0.0015 Å
• c: 13.0676 ± 0.0011 Å
• α: 90°
• β: 98.876 ± 0.004°
• γ: 90°
• Cell volume: 1768.6 ± 0.2 ų
• Cell temperature: 193 ± 2 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 all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No