Information card for entry 7106342

Structure parameters

• Common name: Co2(btb)(NO3)(DEF)3; (DUT-27)
• Formula: C42 H48 Co3 N3 O12
• Calculated formula: C42 H45 Co2 N4 O12
• 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: 27.853 ± 0.006 Å
• b: 16.823 ± 0.003 Å
• c: 20.998 ± 0.004 Å
• α: 90°
• β: 116.28 ± 0.03°
• γ: 90°
• Cell volume: 8822 ± 4 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.88561 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No