Information card for entry 4323552

Structure parameters

• Formula: C96 H102 Cl4 Cu8 N16 O49
• Calculated formula: C96 H79 Cl4 Cu8 N16 O49
• Title of publication: Octanuclearity in Copper(II) Chemistry: Preparation, Characterization, and Magnetochemistry of [Cu8(dpk.OH)8(O2CCH3)4](ClO4)4.9H2O (dpk.H2O = the Hydrated, gem-Diol Form of Di-2-pyridyl Ketone)
• Authors of publication: Vasilis Tangoulis; Catherine P. Raptopoulou; Aris Terzis; Sofia Paschalidou; Spyros P. Perlepes; Evangelos G. Bakalbassis
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3996 - 4006
• a: 18.396 ± 0.001 Å
• b: 16.72 ± 0.001 Å
• c: 19.171 ± 0.001 Å
• α: 96.102 ± 0.002°
• β: 87.679 ± 0.002°
• γ: 99.139 ± 0.002°
• Cell volume: 5787.1 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0699
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1763
• Weighted residual factors for significantly intense reflections: 0.1607
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No