Information card for entry 7003852

Structure parameters

• Formula: C19 H29 N7 O8 Re2
• Calculated formula: C19 H29 N7 O8 Re2
• SMILES: OC.[Re]12(C#[O])(C#[O])(C#[O])[OH][Re](C#[O])(C#[O])(C#[O])([n]3n1cnc3)[n]1n2cnc1.[N+](CC)(CC)(CC)CC
• Title of publication: [Re2(µ-1,2,4-triazolate)2(µ-OH)(CO)6]−: a novel metalloligand for the construction of flexible porous coordination networks
• Authors of publication: Barea, Elisa; Rodríguez-Diéguez, Antonio; Navarro, Jorge A. R.; D′Alfonso, Giuseppe; Sironi, Angelo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1825 - 1827
• a: 12.152 ± 0.002 Å
• b: 12.204 ± 0.002 Å
• c: 19.056 ± 0.004 Å
• α: 90°
• β: 103.72 ± 0.03°
• γ: 90°
• Cell volume: 2745.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No