Information card for entry 7117056

Structure parameters

• Formula: C74 H48 Cl8 F8 N4 O18 Ru4
• Calculated formula: C74 H36 Cl8 F8 N4 O18 Ru4
• Title of publication: A charge-disproportionate ordered state with delta = 0.75 in a chemically sensitive donor/acceptor D^delta^+2A^2delta-^ layered framework
• Authors of publication: Hiroki Fukunaga; Takafumi Yoshino; Hajime Sagayama; Jun-ichi Yamaura; Taka-hisa Arima; Wataru Kosaka; Hitoshi Miyasaka
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7795
• a: 10.641 ± 0.003 Å
• b: 14.224 ± 0.004 Å
• c: 15.449 ± 0.004 Å
• α: 91.028 ± 0.002°
• β: 110.013 ± 0.003°
• γ: 109.772 ± 0.004°
• Cell volume: 2043.8 ± 1 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No