Information card for entry 7214900

Structure parameters

• Formula: C6 H10 B Cu F4 N7 O
• Calculated formula: C6 H10 B Cu F4 N7 O
• Title of publication: A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand
• Authors of publication: Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8153
• a: 6.566 ± 0.002 Å
• b: 10.457 ± 0.003 Å
• c: 17.386 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1193.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No