Information card for entry 7013791

Structure parameters

• Common name: [CuCl(PPh3)(C7H13N3)]
• Formula: C25 H28 Cl Cu N3 P
• Calculated formula: C25 H28 Cl Cu N3 P
• SMILES: [Cu](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]1=C2N(CCC1)CCCN2
• Title of publication: Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.
• Authors of publication: Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 537 - 546
• a: 9.3552 ± 0.0001 Å
• b: 16.3599 ± 0.0003 Å
• c: 15.2723 ± 0.0002 Å
• α: 90°
• β: 90.656 ± 0.001°
• γ: 90°
• Cell volume: 2337.27 ± 0.06 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: 0.0444
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No