Information card for entry 7016260

Structure parameters

• Formula: C24 H21 F6 N5 O3 P Re
• Calculated formula: C24 H21 F6 N5 O3 P Re
• SMILES: [Re]1(C#[O])([n]2c(c3[n]1cccc3)cccc2)(C#[O])([n]1nn(CCC)cc1c1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.
• Authors of publication: Uppal, Baljinder S.; Booth, Rebecca K.; Ali, Noreen; Lockwood, Cindy; Rice, Craig R.; Elliott, Paul I. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7610 - 7616
• a: 13.5102 ± 0.0005 Å
• b: 19.4031 ± 0.0006 Å
• c: 20.6142 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5403.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No