Information card for entry 2015432

Structure parameters

• Common name: [Fe(Cp*)~2~][Ni(dmio)~2~]
• Chemical name: Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate
• Formula: C30 H38 Fe Ni O3 S8
• Calculated formula: C30 H38 Fe Ni O3 S8
• SMILES: C12S[Ni]3(SC=2SC(=O)S1)SC1=C(S3)SC(=O)S1.[Fe]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.O1CCCC1
• Title of publication: Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate
• Authors of publication: Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m278 - m280
• a: 16.4733 ± 0.0017 Å
• b: 11.0224 ± 0.001 Å
• c: 19.693 ± 0.002 Å
• α: 90°
• β: 96.887 ± 0.009°
• γ: 90°
• Cell volume: 3550 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes