Information card for entry 7004828

Structure parameters

• Formula: C60 H66 Cd N6 O18 Zn2
• Calculated formula: C60 H66 Cd N6 O18 Zn2
• Title of publication: Two-dimensional metal-organic frameworks (MOFs) constructed from heterotrinuclear coordination units and 4,4'-biphenyldicarboxylate ligands.
• Authors of publication: Wang, Yonghui; Bredenkötter, Björn; Rieger, Bernhard; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 689 - 696
• a: 11.491 ± 0.002 Å
• b: 14.837 ± 0.003 Å
• c: 19.386 ± 0.004 Å
• α: 90°
• β: 101.53 ± 0.03°
• γ: 90°
• Cell volume: 3238.5 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No