Information card for entry 4080775

Structure parameters

• Formula: C23 H35 B2 Co2 F6 P
• Calculated formula: C23 H35 B2 Co2 F6 P
• SMILES: [Co]12345678([C]9%10([B]%117([Co]7%12%13%14%15%169([C]1([C]2%117C)(C)[B]8%10%15C)[cH]1[cH]%12[cH]%16[cH]%13[cH]%141)C)C)[c]1([c]3([c]6([c]5([c]41C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry
• Authors of publication: Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2713
• a: 8.6366 ± 0.0007 Å
• b: 11.5923 ± 0.0009 Å
• c: 13.6427 ± 0.0011 Å
• α: 99.277 ± 0.002°
• β: 105.566 ± 0.003°
• γ: 95.297 ± 0.002°
• Cell volume: 1285.3 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No