Information card for entry 4082606

Structure parameters

• Formula: C21 H9 N6 O12 Re3
• Calculated formula: C21 H9 N6 O12 Re3
• SMILES: c1cn2[Re](C#[O])(C#[O])(C#[O])(C#[O])n3c[n](cc3)[Re](C#[O])(C#[O])(C#[O])(C#[O])n3c[n](cc3)[Re]([n]1c2)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule
• Authors of publication: Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 40
• a: 7.021 ± 0.0014 Å
• b: 19.501 ± 0.004 Å
• c: 10.38 ± 0.002 Å
• α: 90°
• β: 106.1 ± 0.03°
• γ: 90°
• Cell volume: 1365.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0151
• Residual factor for significantly intense reflections: 0.0128
• Weighted residual factors for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No