Information card for entry 4074630

Structure parameters

• Formula: C10 H21 B8 Cl Co P
• Calculated formula: C10 H21 B8 Cl Co P
• SMILES: [Co]1234567([P]89%10[BH]%11%122[B]2%133(Cl)[CH]3%141[CH]1%15%16[BH]483[BH]3%10%15[BH]49%11[BH]8%122[BH]%13%141[BH]%16348)[C]1(=[C]5([C]6(=[C]71C)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: 15.2228 ± 0.0016 Å
• b: 16.3482 ± 0.0017 Å
• c: 13.2296 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No