Information card for entry 7024640

Structure parameters

• Formula: C37 H35 N3 Ni3 O20
• Calculated formula: C37 H35 N3 Ni3 O20
• 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: 17.8669 ± 0.0006 Å
• b: 14.1157 ± 0.0006 Å
• c: 19.8394 ± 0.0007 Å
• α: 90°
• β: 91.256 ± 0.003°
• γ: 90°
• Cell volume: 5002.4 ± 0.3 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: 0.1077
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections: 0.1733
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No