Information card for entry 7014183

Structure parameters

• Common name: [CuCl{Me2Si(C7H12N3)2}]
• Formula: C16 H30 Cl Cu N6 Si
• Calculated formula: C16 H30 Cl Cu N6 Si
• SMILES: [Cu]1(Cl)[N]2=C3N([Si]([N]4=C5N1CCCN5CCC4)(C)C)CCCN3CCC2
• Title of publication: Poly(guanidyl)silanes as a new class of chelating, N-based ligand.
• Authors of publication: Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1113 - 1114
• a: 13.2511 ± 0.0003 Å
• b: 10.6399 ± 0.0003 Å
• c: 14.0837 ± 0.0004 Å
• α: 90°
• β: 96.377 ± 0.001°
• γ: 90°
• Cell volume: 1973.38 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No