Information card for entry 4077030

Structure parameters

• Common name: [RuTp(m-apic)Cl]2.2(O(C2H5)2) = (5b.2(O(C2H5)2)
• Formula: C38 H56 B2 Cl2 N16 O2 Ru2
• Calculated formula: C38 H56 B2 Cl2 N16 O2 Ru2
• SMILES: [BH]12n3ccc[n]3[Ru]3(Cl)([n]4cccn14)([n]1cccn21)[n]1c([NH2][Ru]24(Cl)([n]5cccn5[BH](n5ccc[n]25)n2ccc[n]42)[n]2c([NH2]3)cc(cc2)C)cc(cc1)C.O(CC)CC.O(CC)CC
• Title of publication: Ruthenium Trispyrazolylborate Complexes. 18.1Aminocarbene Ruthenium Complexes Derived from Terminal Alkynes and 2-Aminopyridines
• Authors of publication: Rüba, Eva; Hummel, Alexandra; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4955
• a: 15.674 ± 0.004 Å
• b: 16.711 ± 0.004 Å
• c: 17.955 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4703 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No