Information card for entry 4121600

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: 11.691 ± 0.0004 Å
• b: 21.0101 ± 0.0006 Å
• c: 8.5286 ± 0.0002 Å
• α: 90°
• β: 130.693 ± 0.002°
• γ: 90°
• Cell volume: 1588.36 ± 0.09 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No