Information card for entry 7110163

Structure parameters

• Formula: C19 H38 N2 P2
• Calculated formula: C19 H38 N2 P2
• SMILES: [C]1N(C=CN1P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C
• Title of publication: A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals
• Authors of publication: Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 50
• Pages of publication: 103
• a: 23.8815 ± 0.0012 Å
• b: 12.4951 ± 0.0006 Å
• c: 15.9372 ± 0.0008 Å
• α: 90°
• β: 108.781 ± 0.001°
• γ: 90°
• Cell volume: 4502.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No