Information card for entry 7702488

Structure parameters

• Common name: Complex 1
• Formula: C16 H22 Cu N4 O8 S
• Calculated formula: C16 H14 Cu N4 O8 S
• Title of publication: Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †
• Authors of publication: Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 736
• a: 13.729 ± 0.003 Å
• b: 8.0736 ± 0.0009 Å
• c: 17.869 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1980.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.1279
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No