Information card for entry 4327164

Structure parameters

• Common name: Coenox2-BPYE-NA
• Formula: C19 H21 Co N4 O14
• Calculated formula: C19 H21 Co N4 O14
• 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: 6.9094 ± 0.0006 Å
• b: 13.4452 ± 0.0012 Å
• c: 13.4974 ± 0.0013 Å
• α: 96.748 ± 0.002°
• β: 92.489 ± 0.002°
• γ: 101.009 ± 0.002°
• Cell volume: 1219.49 ± 0.19 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: 0.0708
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No