Information card for entry 4327160

Structure parameters

• Common name: Coenox2-BPY-MP
• Formula: C18 H23 Co N3 O11
• Calculated formula: C18 H23 Co N3 O11
• 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: 6.9527 ± 0.0005 Å
• b: 11.1455 ± 0.0008 Å
• c: 13.9779 ± 0.0009 Å
• α: 94.164 ± 0.001°
• β: 103.116 ± 0.001°
• γ: 96.828 ± 0.001°
• Cell volume: 1041.86 ± 0.13 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: 0.0257
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No