Information card for entry 4515291

Structure parameters

• Formula: C15 H8 Cl N2 O5 Re
• Calculated formula: C15 H8 Cl N2 O5 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(Cl)[n]2cc(ccc2c2ccc(c[n]12)C=O)C=O
• Title of publication: Covalent-Organic Frameworks Composed of Rhenium Bipyridine and Metal Porphyrins: Designing Heterobimetallic Frameworks with Two Distinct Metal Sites.
• Authors of publication: Johnson, Eric M.; Haiges, Ralf; Marinescu, Smaranda C.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 37919 - 37927
• a: 14.9714 ± 0.0017 Å
• b: 11.0724 ± 0.0013 Å
• c: 9.5523 ± 0.0011 Å
• α: 90°
• β: 102.998 ± 0.002°
• γ: 90°
• Cell volume: 1542.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No