Information card for entry 4314917

Structure parameters

• Formula: C112 H80 B2 Cl2 Fe2 N34 Ni2 O14 S16
• Calculated formula: C112 H80 B2 Cl2 Fe2 N34 Ni2 O14 S16
• 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: 14.668 ± 0.002 Å
• b: 14.929 ± 0.002 Å
• c: 18.808 ± 0.003 Å
• α: 99.914 ± 0.002°
• β: 91.47 ± 0.003°
• γ: 101.981 ± 0.002°
• Cell volume: 3960.6 ± 1 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: 0.0913
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No