Information card for entry 4327161

Structure parameters

• Common name: Coenox2-BPY-DMB
• Formula: C17.5 H13 Co N3 O9
• Calculated formula: C17.5 H13 Co N3 O9
• Title of publication: Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers
• Authors of publication: M. Jaya Prakash; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12739 - 12746
• a: 7.6147 ± 0.0007 Å
• b: 9.5563 ± 0.0009 Å
• c: 14.0275 ± 0.0013 Å
• α: 83.879 ± 0.002°
• β: 82.156 ± 0.002°
• γ: 74.29 ± 0.002°
• Cell volume: 970.83 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No