Information card for entry 4121598

Structure parameters

• Formula: C48 H36 Co3 N6 O12
• Calculated formula: C48 H36 Co3 N6 O12
• Title of publication: Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.
• Authors of publication: Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 13
• Pages of publication: 5072 - 5077
• a: 17.4848 ± 0.0008 Å
• b: 17.4848 ± 0.0008 Å
• c: 20.2126 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6179.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.302
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No