Information card for entry 7704189

Structure parameters

• Formula: C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2
• Calculated formula: C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2
• Title of publication: Structure and magnetic properties of a novel heteroheptanuclear metal string complex [Ni₃Ru₂Ni₂(μ₇-teptra)₄(NCS)₂](PF₆).
• Authors of publication: Chiu, Cheng-Chang; Cheng, Ming-Chuan; Lin, Sheng-Hsiang; Yan, Cheng-Wei; Lee, Gene-Hsiang; Chang, Mu-Chieh; Lin, Tien-Sung; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6635 - 6643
• a: 38.6072 ± 0.0015 Å
• b: 14.9578 ± 0.0006 Å
• c: 17.7771 ± 0.0008 Å
• α: 90°
• β: 115.3 ± 0.0012°
• γ: 90°
• Cell volume: 9281.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No