Information card for entry 4319470

Structure parameters

• Formula: C19.33 H36.83 Cl2.5 Cu2 N6 O12.33
• Calculated formula: C20 H35 Cl3 Cu2 N6 O18
• 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: 10.2985 ± 0.0004 Å
• b: 12.1182 ± 0.0004 Å
• c: 13.9705 ± 0.0003 Å
• α: 89.978 ± 0.002°
• β: 82.038 ± 0.002°
• γ: 65.095 ± 0.002°
• Cell volume: 1562.87 ± 0.09 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 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 significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for significantly intense reflections: 1.217
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No