Information card for entry 4076342

Structure parameters

• Formula: C66 H64 N4 P2 Rh2
• Calculated formula: C66 H64 N4 P2 Rh2
• SMILES: c1ccc2c3c4ccc[n]5c4c2n1[Rh]1245([CH]5CC[CH]2=[CH]1CC[CH]4=5)[P](CCc1c2cccn4c2c2c1ccc[n]2[Rh]1254([P](CC3)(c3ccccc3)c3ccccc3)[CH]3=[CH]1CC[CH]2=[CH]5CC3)(c1ccccc1)c1ccccc1
• 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: 15.888 ± 0.003 Å
• b: 11.603 ± 0.002 Å
• c: 16.131 ± 0.003 Å
• α: 90°
• β: 118.29 ± 0.03°
• γ: 90°
• Cell volume: 2618.5 ± 1.1 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No