Information card for entry 4135058

Structure parameters

• Chemical name: (mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate
• Formula: C78 H94 Br4 Cl2 Co2 N8 O19
• Calculated formula: C57 H52 Br4 Cl2 Co2 N8 O12
• Title of publication: Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.
• Authors of publication: Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 17.127 ± 0.003 Å
• b: 19.36 ± 0.004 Å
• c: 25.008 ± 0.005 Å
• α: 84.2 ± 0.03°
• β: 81.18 ± 0.03°
• γ: 89.83 ± 0.03°
• Cell volume: 8151 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No