Information card for entry 4309477

Structure parameters

• Chemical name: [Co(bpy)2(BACat)](BF4)
• Formula: C27 H20 B2 Co F8 N5 O2
• Calculated formula: C27 H19.375 B Co F4 N4 O3.5
• Title of publication: Binuclear Complexes of Co(III) Containing Extended Conjugated Bis(Catecholate) Ligands
• Authors of publication: Yusaku Suenaga; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6183 - 6191
• a: 10.8083 ± 0.0007 Å
• b: 16.3268 ± 0.0011 Å
• c: 16.3863 ± 0.0011 Å
• α: 62.82 ± 0.001°
• β: 87.714 ± 0.002°
• γ: 79.962 ± 0.002°
• Cell volume: 2530.3 ± 0.3 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 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: 0.2639
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No