Information card for entry 4304861

Structure parameters

• Formula: C42 H60 Al2 Br Cu N4 P2
• Calculated formula: C42 H60 Al2 Br Cu N4 P2
• SMILES: [Cu](Br)([P](c1ccccc1)(c1ccccc1)C1=[N]([Al](N1C(C)C)(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)C1=[N]([Al](N1C(C)C)(C)C)C(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: 14.0207 ± 0.0002 Å
• b: 22.0117 ± 0.0003 Å
• c: 16.274 ± 0.0002 Å
• α: 90°
• β: 110.996 ± 0.001°
• γ: 90°
• Cell volume: 4689.01 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No