Information card for entry 4330601

Structure parameters

• Chemical name: bis{2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}cobalt(II) tetrafluoroborate dimethylformamide clathrate
• Formula: C84 H66 B Co F4 N6 O24
• Calculated formula: C84 H66 Co N6 O24
• Title of publication: Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
• Authors of publication: James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10657 - 10674
• a: 17.5839 ± 0.0018 Å
• b: 29.7518 ± 0.0018 Å
• c: 34.404 ± 0.003 Å
• α: 90°
• β: 99.609 ± 0.003°
• γ: 90°
• Cell volume: 17746 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1569
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No