Information card for entry 7114844

Structure parameters

• Formula: C20 H41 B7 Re2
• Calculated formula: C20 H37 B7 Re2
• SMILES: [Re]123456789([Re]%10%11%12%13%14%15%16%17([c]%18([c]%10([c]%11([c]%12([c]%13%18C)C)C)C)C)[BH]%10[BH]5[BH]7%15%10[BH]9%17[BH]58%16[BH]6[BH]%145)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Metallaboranes of the earlier transition metals. An arachno nine-vertex, nine-skeletal electron pair rhenaborane of novel shape: importance of total vertex connectivities in such systems
• Authors of publication: Ghosh, Sundargopal; Rheingold, Arnold L.; Fehlner, Thomas P.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 895
• a: 8.7967 ± 0.0002 Å
• b: 17.7865 ± 0.0003 Å
• c: 18.0509 ± 0.0004 Å
• α: 111.564 ± 0.001°
• β: 102.924 ± 0.002°
• γ: 99.411 ± 0.001°
• Cell volume: 2464.22 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No