Information card for entry 7000037

Structure parameters

• Formula: C60 H88 Cl2 Ga4 Ru2
• Calculated formula: C60 H88 Cl2 Ga4 Ru2
• SMILES: [Ru]123456([Ga](Cl)C7(C(=C(C(=C7C)C)C)C)C)([Ga]([Ru]789%10%11([Ga](Cl)C%12(C(=C(C(=C%12C)C)C)C)C)([Ga]1C1(C(=C(C(=C1C)C)C)C)C)[c]1([cH]7[cH]8[c]9([cH]%10[cH]%111)C)C(C)C)C1(C(=C(C(=C1C)C)C)C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)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: 13.691 ± 0.002 Å
• b: 19.901 ± 0.004 Å
• c: 23.582 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6425.3 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No