Information card for entry 4304860

Structure parameters

• Formula: C38 H50 Br Cu N4 P2
• Calculated formula: C38 H50 Br Cu N4 P2
• SMILES: [Cu](Br)([P](c1ccccc1)(c1ccccc1)C(=N/C(C)C)\NC(C)C)[P](c1ccccc1)(c1ccccc1)\C(=N/C(C)C)NC(C)C
• Title of publication: Phosphaguanidines as Scaffolds for Multimetallic Complexes Containing Metal-Functionalized Phosphines
• Authors of publication: Joanna Grundy; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2258 - 2260
• a: 10.4275 ± 0.0001 Å
• b: 17.1857 ± 0.0002 Å
• c: 22.3749 ± 0.0003 Å
• α: 90°
• β: 97.21 ± 0.001°
• γ: 90°
• Cell volume: 3977.96 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No