Information card for entry 4101264

Structure parameters

• Common name: catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)
• Chemical name: catena-(tris(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)-hexa-aqua-di- barium-gadolinium chloride clathrate hydrate)
• Formula: C30 H18 Ba2 Cl Gd N6 O39.16 S6
• Calculated formula: C30 H18 Ba2 Cl Gd N6 O39.146 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: 24.423 ± 0.005 Å
• b: 22.995 ± 0.005 Å
• c: 10.498 ± 0.002 Å
• α: 90°
• β: 98.54 ± 0.03°
• γ: 90°
• Cell volume: 5830 ± 2 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: 0.0714
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No