Information card for entry 7227121

Structure parameters

• Formula: C63 H72 Co2 N4 O15
• Calculated formula: C55 H54 Co2 N2 O13
• Title of publication: The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene
• Authors of publication: Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 603
• a: 32.094 ± 0.002 Å
• b: 9.8357 ± 0.0007 Å
• c: 37.7628 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11920.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No