Information card for entry 7000040

Structure parameters

• Formula: C40 H60 Cl In3 Ru
• Calculated formula: C40 H60 Cl In3 Ru
• SMILES: [Ru]12345([In]6789[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)([In]6([Cl][In]71C1([C]7(=C(C(=C1C)C)C)C)C)C1([C]6(=C(C(=C1C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.
• Authors of publication: Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 44 - 54
• a: 12.038 ± 0.003 Å
• b: 20.651 ± 0.006 Å
• c: 18.467 ± 0.006 Å
• α: 90°
• β: 102.358 ± 0.008°
• γ: 90°
• Cell volume: 4484 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No