Information card for entry 4319469

Structure parameters

• Formula: C17 H35 Cl2 Cu2 N6 O10
• Calculated formula: C17 H35 Cl3 Cu2 N6 O14
• Title of publication: Syntheses, Crystal Structures, Magnetic Properties, and EPR Spectra of Tetranuclear Copper(II) Complexes Featuring Pairs of "Roof-Shaped" Cu2X2 Dimers with Hydroxide, Methoxide, and Azide Bridges
• Authors of publication: Bim Graham; Milton T. W. Hearn; Peter C. Junk; Christopher M. Kepert; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1536 - 1543
• a: 10.2479 ± 0.0012 Å
• b: 12.13 ± 0.002 Å
• c: 14.353 ± 0.003 Å
• α: 82.228 ± 0.015°
• β: 80.794 ± 0.011°
• γ: 65.715 ± 0.014°
• Cell volume: 1600.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.238
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections: 0.228
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 8.04
• Goodness-of-fit parameter for significantly intense reflections: 10.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: xray_tube
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No