Information card for entry 7017089

Structure parameters

• Formula: C50 H72 B6 F24 Mo4 N24 O4
• Calculated formula: C50 H72 B6 F24 Mo4 N24 O4
• Title of publication: Dicarboxylate-bridged (Mo(2))(n) (n = 2, 3, 4) paddle-wheel complexes: potential intermediate building blocks for metal-organic frameworks.
• Authors of publication: Köberl, Mathias; Cokoja, Mirza; Bechlars, Bettina; Herdtweck, Eberhardt; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11490 - 11496
• a: 14.9896 ± 0.0004 Å
• b: 18.3686 ± 0.0005 Å
• c: 15.5071 ± 0.0004 Å
• α: 90°
• β: 92.7229 ± 0.0014°
• γ: 90°
• Cell volume: 4264.9 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No