Information card for entry 7000043

Structure parameters

• Formula: C64 H79 B Ga3 Ru
• Calculated formula: C64 H78.5 B Ga3 Ru
• SMILES: [Ru]1234([Ga]5678[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)([Ga]5678[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)([Ga]5678[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.208 ± 0.005 Å
• b: 18.071 ± 0.002 Å
• c: 22.538 ± 0.006 Å
• α: 88.597 ± 0.017°
• β: 86.16 ± 0.02°
• γ: 88.048 ± 0.016°
• Cell volume: 6987 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No