Information card for entry 4332193

Structure parameters

• Chemical name: Bis(N,N-diethylethylenediamine)copper(II) Perchlorate
• Formula: C12 H32 Cl2 Cu N4 O8
• Calculated formula: C12 H32 Cl2 Cu N4 O8
• SMILES: [O-]Cl(=O)(=O)=O.[Cu]12([NH2]CC[N]1(CC)CC)[NH2]CC[N]2(CC)CC.[O-]Cl(=O)(=O)=O
• Title of publication: Structural Basis for the Phase Switching of Bisaminecopper(II) Cations at the Thermal Limits of Lattice Stability
• Authors of publication: Naumov, Panče; Sakurai, Kenji; Asaka, Toru; Belik, Alexei A.; Adachi, Shin-ichi; Takahashi, Junichi; Koshihara, Shin-ya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5027 - 5033
• a: 8.0926 ± 0.001 Å
• b: 8.7436 ± 0.0011 Å
• c: 9.769 ± 0.0012 Å
• α: 65.289 ± 0.002°
• β: 66.001 ± 0.002°
• γ: 63.483 ± 0.002°
• Cell volume: 540.9 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No