Information card for entry 4077918

Structure parameters

• Formula: C23 H26 B7 N3 Ru
• Calculated formula: C23 H26 B7 N3 Ru
• SMILES: [Ru]123456789([C]%10%11([CH]%12%132[BH]2%145[CH]51[BH]1%154[BH]43%10[BH]3%11%12[BH]%10%13%14[BH]251[BH]%1543%10)c1ccc(cc1)c1cn(Cc2ccccc2)nn1)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes
• Authors of publication: Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2741
• a: 16.615 ± 0.004 Å
• b: 9.876 ± 0.002 Å
• c: 31.354 ± 0.008 Å
• α: 90°
• β: 91.289 ± 0.003°
• γ: 90°
• Cell volume: 5144 ± 2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No