Information card for entry 7018026

Structure parameters

• Formula: C15 H15 N6 O P
• Calculated formula: C15 H15 N6 O P
• SMILES: c1(ccccn1)NP(=O)(Nc1ccccn1)Nc1ccccn1
• Title of publication: A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.
• Authors of publication: Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1848 - 1853
• a: 10.1012 ± 0.0001 Å
• b: 10.1012 ± 0.0001 Å
• c: 28.4343 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2512.58 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No