Information card for entry 4101267

Structure parameters

• Formula: C30 H25.5 Ba2 Cl Eu N6 O34.5 S6
• Calculated formula: C30 H26 Ba2 Cl Eu N6 O34.5 S6
• Title of publication: Microporous metal-organic frameworks formed in a stepwise manner from luminescent building blocks.
• Authors of publication: Chandler, Brett D; Cramb, David T; Shimizu, George K H
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10403 - 10412
• a: 24.55 ± 0.002 Å
• b: 23.026 ± 0.002 Å
• c: 10.4867 ± 0.001 Å
• α: 90°
• β: 98.796 ± 0.002°
• γ: 90°
• Cell volume: 5858.5 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No