Information card for entry 4074629

Structure parameters

• Formula: C10 H22 B8 Co P
• Calculated formula: C10 H22 B8 Co P
• SMILES: [Co]1234567(P89%10[BH]%11%121[BH]1%139[BH]9%14%11[BH]%11%15%16[BH]%17%18%19[BH]28([BH]%101%17[BH]%139%11%18)[CH]3%15%19[CH]4%12%14%16)[C]1(=[C]7([C]6(=[C]51C)C)C)C
• Title of publication: (Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†
• Authors of publication: Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2419
• a: 7.313 ± 0.003 Å
• b: 16.804 ± 0.006 Å
• c: 13.48 ± 0.005 Å
• α: 90°
• β: 103.694 ± 0.007°
• γ: 90°
• Cell volume: 1609.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No