Information card for entry 4079363

Structure parameters

• Common name: in manuscript 4b
• Formula: C44.45 H72.05 Br4 Cl1.55 Cu4 N4 P2
• Calculated formula: C44.4332 H72.0828 Br4 Cl1.568 Cu4 N4 P2
• 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: 12.1724 ± 0.0011 Å
• b: 15.224 ± 0.0014 Å
• c: 14.9025 ± 0.0014 Å
• α: 90°
• β: 94.477 ± 0.002°
• γ: 90°
• Cell volume: 2753.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No