Information card for entry 1549353

Structure parameters

• Chemical name: Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate
• Formula: C21.2 H22.4 Cl6.4 Co3
• Calculated formula: C21.2 H22.4 Cl6.4 Co3
• SMILES: [Co]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51.[Co](Cl)(Cl)([Cl-])[Cl-].ClCCl.ClCCl
• Title of publication: Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate
• Authors of publication: Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180552
• a: 18.1419 ± 0.0016 Å
• b: 19.9967 ± 0.0017 Å
• c: 20.3048 ± 0.0017 Å
• α: 79.631 ± 0.002°
• β: 78.398 ± 0.002°
• γ: 63.844 ± 0.002°
• Cell volume: 6441.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes