Information card for entry 4076339

Structure parameters

• Formula: C25 H21 N2 P
• Calculated formula: C25 H21 N2 P
• SMILES: P(CCC1c2cccnc2c2ncccc12)(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: 16.835 ± 0.0011 Å
• b: 10.0153 ± 0.0006 Å
• c: 23.5193 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3965.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No