Information card for entry 7013450

Structure parameters

• Formula: C38 H29 B Co2 N2 O6
• Calculated formula: C38 H29 B Co2 N2 O6
• SMILES: [Co]12([Co]3([CH]1=[C]23Cn1c[n+](cc1)C=C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of organometallic imidazolium compounds that include a new organometallic ionic liquidThis paper is based on work presented at OMCOS 8 held at Santa Barbara, USA, 6?10 August 1995. Electronic supplementary information (ESI) available: Table of ionic liquids and melting points. See http://www.rsc.org/suppdata/dt/b3/b308252k/
• Authors of publication: Schottenberger, Herwig; Wurst, Klaus; Horvath, Ulrike E. I.; Cronje, Stephanie; Lukasser, Josef; Polin, Johann; McKenzie, Jean M.; Raubenheimer, Helgard G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4275
• a: 9.4434 ± 0.0002 Å
• b: 17.5931 ± 0.0005 Å
• c: 21.6424 ± 0.0007 Å
• α: 99.918 ± 0.002°
• β: 98.869 ± 0.002°
• γ: 91.452 ± 0.002°
• Cell volume: 3494.58 ± 0.17 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No