Information card for entry 7213565

Structure parameters

• Chemical name: Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate
• Formula: C36 H42 Cl4 Cu2 N8 O18
• Calculated formula: C36 H38 Cl4 Cu2 N8 O18
• Title of publication: Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex
• Authors of publication: Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 175
• a: 8.569 ± 0.003 Å
• b: 8.666 ± 0.003 Å
• c: 17.564 ± 0.007 Å
• α: 87.05 ± 0.02°
• β: 82 ± 0.02°
• γ: 62.917 ± 0.013°
• Cell volume: 1149.9 ± 0.7 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 significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No