Information card for entry 7111401

Structure parameters

• Formula: C16 H19 Na Ni3 O21 S2
• Calculated formula: C16 H15 Na Ni3 O21 S2
• Title of publication: A thermally stable nanoporous nickel 5-sulfoisophthalate; crystal structure and adsorption properties
• Authors of publication: Kim, Dae Sung; Forster, Paul M.; Le Toquin, Ronan; Cheetham, Anthony K.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2148 - 2149
• a: 9.833 ± 0.002 Å
• b: 11.107 ± 0.002 Å
• c: 12.615 ± 0.003 Å
• α: 74.884 ± 0.003°
• β: 89.323 ± 0.004°
• γ: 69.755 ± 0.003°
• Cell volume: 1243.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No