Information card for entry 4121597

Structure parameters

• Formula: C16 H12 Co N2 O4
• Calculated formula: C16 H12 Co N2 O4
• 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: 12.4892 ± 0.0015 Å
• b: 13.6324 ± 0.0015 Å
• c: 12.1687 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.8 ± 0.4 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No