Information card for entry 7104270

Structure parameters

• Formula: C76 H59 Cl8 Cu5 N24 O1.5
• Calculated formula: C76 H59 Cl8 Cu5 N24 O1.5
• Title of publication: Dynamic structural changes of pentacopper(II) chains supported by N6-donor ligands.
• Authors of publication: Takemura, Yukie; Nakajima, Takayuki; Tanase, Tomoaki; Usuki, Miho; Takenaka, Hiroe; Goto, Eri; Mikuriya, Masahiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1664 - 1666
• a: 18.1702 ± 0.0005 Å
• b: 21.142 ± 0.0007 Å
• c: 20.4422 ± 0.0007 Å
• α: 90°
• β: 99.1332 ± 0.0005°
• γ: 90°
• Cell volume: 7753.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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 all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No