Information card for entry 1564992

Structure parameters

• Common name: Co2Cl2bbta_2mbarNO_298K
• Formula: C3 H Cl Co N3.8 O0.8
• Calculated formula: C3 H Cl Co N3.795 O0.795
• Title of publication: Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks
• Authors of publication: Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 24.48533 ± 0.00039 Å
• b: 24.48533 ± 0.00039 Å
• c: 8.3056 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4312.35 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor R(I) for significantly intense reflections: 0.01
• Goodness-of-fit parameter for all reflections: 1.68
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.45411 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No