Information card for entry 1556417

Structure parameters

• Formula: C16 H29 B9 O4 Ru
• Calculated formula: C16 H29 B9 O4 Ru
• SMILES: [cH]12[cH]3[c]4([cH]5[cH]6[C]1(C(C)C)[Ru]178923456[C]23(C(=O)OC)[BH]456[C]%101(C(=O)OC)[BH]1%117[BH]7%129[BH]982[BH]287[BH]74([BH]5%101[BH]%11%1287)[BH]3692)C
• Title of publication: On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes
• Authors of publication: Gozzi, M.; Schwarze, B.; Coburger, P.; Hey-Hawkins, E.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 91
• a: 9.331 ± 0.0002 Å
• b: 9.4169 ± 0.0002 Å
• c: 14.0477 ± 0.0003 Å
• α: 90.693 ± 0.002°
• β: 103.321 ± 0.002°
• γ: 113.757 ± 0.002°
• Cell volume: 1091.71 ± 0.05 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0311
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No