Information card for entry 7704512

Structure parameters

• Chemical name: 1-([1,3,4]azadiphospholo[1,2-a]pyridin-3-yloxy)-N,N,N',N'-tetraisopropylphosphanediamine
• Formula: C18 H32 N3 O P3
• Calculated formula: C18 H32 N3 O P3
• SMILES: P(Oc1ppc2n1cccc2)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: 1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.
• Authors of publication: Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8201 - 8208
• a: 12.9301 ± 0.0004 Å
• b: 11.3677 ± 0.0004 Å
• c: 29.4791 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4333 ± 0.3 ų
• Cell temperature: 104.79 ± 0.12 K
• Ambient diffraction temperature: 104.79 ± 0.12 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No