Information card for entry 7106343

Structure parameters

• Common name: Co22(btb)12 (DUT-28(RT))
• Formula: C162 H90 Co11 O60
• Calculated formula: C162 H90 Co11 O60
• Title of publication: High-throughput discovery of porous materials
• Authors of publication: Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5151
• a: 32.989 ± 0.007 Å
• b: 39.08 ± 0.008 Å
• c: 27.682 ± 0.006 Å
• α: 90°
• β: 124.04 ± 0.03°
• γ: 90°
• Cell volume: 29573 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.2567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.88561 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No