Information card for entry 7024645

Structure parameters

• Formula: C46 H46 N4 Ni3 O14
• Calculated formula: C46 H46 N4 Ni3 O14
• Title of publication: Resin-assisted solvothermal synthesis of transition metal-organic frameworks.
• Authors of publication: Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3384 - 3395
• a: 11.385 ± 0.0002 Å
• b: 19.125 ± 0.0005 Å
• c: 11.606 ± 0.0003 Å
• α: 90°
• β: 115.684 ± 0.0011°
• γ: 90°
• Cell volume: 2277.39 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No