Information card for entry 4086542

Structure parameters

• Formula: C10 H9 Co I2
• Calculated formula: C10 H9 Co I2
• SMILES: [cH]12[cH]3[cH]4[cH]5[Co]6789134([cH]1[cH]8[cH]9[c]7([cH]61)I)[cH]25.[I-]
• Title of publication: Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)
• Authors of publication: Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2101
• a: 11.4449 ± 0.0008 Å
• b: 8.934 ± 0.0006 Å
• c: 11.4723 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1173.03 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No