Information card for entry 4101265

Structure parameters

• Common name: catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)
• Chemical name: catena-(tris(m5-4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-terbium chloride clathrate hydrate)
• Formula: C30 H18 Ba2 Cl N6 O38.22 S6 Tb
• Calculated formula: C30 H18 Ba2 Cl N6 O38.22 S6 Tb
• 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: 24.525 ± 0.005 Å
• b: 22.917 ± 0.005 Å
• c: 10.531 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.595 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5852 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No