Information card for entry 7017272

Structure parameters

• Formula: C34.25 H33.25 Co2 N4.75 O10.75
• Calculated formula: C29 H15 Co2 N3 O9
• Title of publication: Increasing nuclearity of secondary building units in porous cobalt(ii) metal-organic frameworks: Variation in structure and H(2) adsorption.
• Authors of publication: Jia, Junhua; Athwal, Harprit Singh; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Schröder, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12342 - 12349
• a: 9.287 ± 0.001 Å
• b: 28.242 ± 0.003 Å
• c: 16.667 ± 0.002 Å
• α: 90°
• β: 97.03 ± 0.002°
• γ: 90°
• Cell volume: 4338.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No