Information card for entry 4079367

Structure parameters

• Common name: in manuscript 10b
• Formula: C32 H56 B2 Cu2 N8
• Calculated formula: C32 H56 B2 Cu2 N8
• SMILES: [Cu]1=C2N(C=CN2C(C)(C)C)[B](N2C(=[Cu]=C3N([B](N4C=1N(C=C4)C(C)(C)C)(C)C)C=CN3C(C)(C)C)N(C=C2)C(C)(C)C)(C)C
• Title of publication: Synthesis and Structures of Copper(I) Complexes with Phosphino-Functionalized N-Heterocyclic Carbenes (NHCP) and Bis-N-Heterocyclic Carbenes (Bis-NHC)
• Authors of publication: Kühnel, Erik; Shishkov, Igor V.; Rominger, Frank; Oeser, Thomas; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 8000
• a: 9.7721 ± 0.001 Å
• b: 11.8877 ± 0.0012 Å
• c: 16.7399 ± 0.0017 Å
• α: 85.132 ± 0.002°
• β: 88.307 ± 0.002°
• γ: 66.628 ± 0.002°
• Cell volume: 1778.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No