Information card for entry 4077137

Structure parameters

• Chemical name: eta(5)-Cp*Co(2,3-Et2C2B4H3-7-NMe2)
• Formula: C18 H34 B4 Co N
• Calculated formula: C18 H26.5 B4 Co N
• SMILES: [Co]12345678([C]9%10([C]%111(CC)[BH]16[BH]67[BH]89[B]%10%1116N(C)C)CC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Radical Substitution at Boron in Small Cobaltacarboranes. Conversion of η5-C5Me5to η4-C5Me5R Complexes1
• Authors of publication: Russell, J. Monte; Sabat, Michal; Grimes, Russell N.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 5613
• a: 8.8292 ± 0.0006 Å
• b: 13.9778 ± 0.0009 Å
• c: 16.6964 ± 0.0011 Å
• α: 84.742 ± 0.001°
• β: 78.751 ± 0.001°
• γ: 89.233 ± 0.001°
• Cell volume: 2012.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0674
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No