Information card for entry 1553706

Structure parameters

• Formula: C76 H48 Cl20 N4 O18 Ru4
• Calculated formula: C76 H40 Cl20 N4 O18 Ru4
• Title of publication: Metamagnetism with TN = 97 K in a layered assembly of paddlewheel [Ru2] units and TCNQ: an empirical rule for interlayer distances determining the magnetic ground state
• Authors of publication: Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 497
• a: 10.295 ± 0.003 Å
• b: 15.211 ± 0.004 Å
• c: 15.71 ± 0.004 Å
• α: 97.505 ± 0.003°
• β: 103.952 ± 0.003°
• γ: 98.491 ± 0.002°
• Cell volume: 2325.7 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0612
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No