Information card for entry 4076340

Structure parameters

• Formula: C56 H64 Cu N4 O P
• Calculated formula: C56 H64 Cu N4 O P
• Title of publication: Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex
• Authors of publication: Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2184
• a: 12.4037 ± 0.0008 Å
• b: 20.65 ± 0.0014 Å
• c: 18.9656 ± 0.0014 Å
• α: 90°
• β: 98.46 ± 0.004°
• γ: 90°
• Cell volume: 4804.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1474
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No