Information card for entry 2242810

Structure parameters

• Chemical name: 1'-[2-(1-Amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate
• Formula: C19 H21 Co F6 N3 O3 P
• Calculated formula: C19 H21 Co F6 N3 O3 P
• Title of publication: Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate
• Authors of publication: Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 208 - 213
• a: 7.9891 ± 0.0004 Å
• b: 9.431 ± 0.0005 Å
• c: 15.5425 ± 0.0008 Å
• α: 74.415 ± 0.003°
• β: 78.183 ± 0.002°
• γ: 73.798 ± 0.002°
• Cell volume: 1072.48 ± 0.1 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes