Information card for entry 7004358

Structure parameters

• Formula: C16 H17 B N P
• Calculated formula: C16 H17 B N P
• SMILES: c1cccn1[P](c1ccccc1)(c1ccccc1)[BH3]
• 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: 9.503 ± 0.002 Å
• b: 10.494 ± 0.002 Å
• c: 15.347 ± 0.003 Å
• α: 90.182 ± 0.015°
• β: 99.474 ± 0.016°
• γ: 103.301 ± 0.018°
• Cell volume: 1467.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No