Information card for entry 7004359

Structure parameters

• Formula: C16 H18 N P Se
• Calculated formula: C16 H18 N P Se
• SMILES: C1CCCN1P(c1ccccc1)(c1ccccc1)=[Se]
• Title of publication: Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core
• Authors of publication: Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5627 - 5635
• a: 9.0551 ± 0.0015 Å
• b: 17.944 ± 0.004 Å
• c: 9.141 ± 0.0008 Å
• α: 90°
• β: 97.767 ± 0.01°
• γ: 90°
• Cell volume: 1471.6 ± 0.4 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 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: 0.0824
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No