Information card for entry 4314918

Structure parameters

• Formula: C104 H104 B2 Cl2 Fe2 N26 Ni2 O30 S8
• Calculated formula: C104 H104 B2 Cl2 Fe2 N26 Ni2 O30 S8
• Title of publication: Syntheses, Structures, and Magnetic Properties of Heterobimetallic Clusters with Tricyanometalate and π-Conjugated Ligands Containing 1,3-Dithiol-2-ylidene
• Authors of publication: Yan-Hong Peng; Yi-Fei Meng; Liang Hu; Quan-Xiu Li; Yi-Zhi Li; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1905 - 1912
• a: 14.0971 ± 0.0014 Å
• b: 16.2489 ± 0.0017 Å
• c: 17.8026 ± 0.0018 Å
• α: 66.554 ± 0.002°
• β: 80.021 ± 0.003°
• γ: 86.64 ± 0.002°
• Cell volume: 3684.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No