Information card for entry 7202220

Structure parameters

• Formula: C24 H49 Gd N24 O17
• Calculated formula: C24 H41 Gd N24 O17
• Title of publication: A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)
• Authors of publication: Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1117
• a: 9.9142 ± 0.0003 Å
• b: 13.6521 ± 0.0005 Å
• c: 16.9555 ± 0.0006 Å
• α: 78.682 ± 0.001°
• β: 76.376 ± 0.001°
• γ: 77.859 ± 0.001°
• Cell volume: 2154.31 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No