Information card for entry 7031885

Structure parameters

• Formula: C40 H54 Cu N10 O3 S2
• Calculated formula: C40 H44 Cu N10 O3 S2
• Title of publication: Two new coordination polymers, a trinuclear metal complex and their interconversion depending on the solvent.
• Authors of publication: Koike, Shiori; Hirakawa, Takeshi; Yamanishi, Katsunori; Kondo, Mitsuru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12832
• a: 13.688 ± 0.008 Å
• b: 13.19 ± 0.007 Å
• c: 23.337 ± 0.013 Å
• α: 90°
• β: 96.326 ± 0.009°
• γ: 90°
• Cell volume: 4188 ± 4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031663
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No