Information card for entry 7131514

Structure parameters

• Formula: C12 H19 Co N8 O
• Calculated formula: C12 H19 Co N8 O
• Title of publication: Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)₂(H₃O)[Co(CN)₆] framework.
• Authors of publication: Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 37
• Pages of publication: 5535 - 5538
• a: 14.497 ± 0.003 Å
• b: 8.5378 ± 0.0003 Å
• c: 14.317 ± 0.002 Å
• α: 90°
• β: 108.12 ± 0.03°
• γ: 90°
• Cell volume: 1684.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No