Information card for entry 7017274

Structure parameters

• Formula: C60.75 H74.75 Co3 N10.25 O20.75
• Calculated formula: C40.5 H21 Co3 N3.5 O14
• 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: 10.164 ± 0.006 Å
• b: 13.363 ± 0.008 Å
• c: 22.395 ± 0.013 Å
• α: 86.833 ± 0.009°
• β: 80.346 ± 0.008°
• γ: 83.224 ± 0.009°
• Cell volume: 2976 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.6902 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No