Information card for entry 4316740

Structure parameters

• Formula: C38 H50 B2 Cu2 Fe2 N22 O4
• Calculated formula: C38 H50 B2 Cu2 Fe2 N22 O4
• Title of publication: Syntheses, Structures, and Magnetic Properties of Two Kinds of Unique Heterometallic Chains with Mixed-Bridging Ligands of Tricyanometalate and Alkoxide
• Authors of publication: Ling-Chen Kang; Xin Chen; Hui-Sheng Wang; Yi-Zhi Li; You Song; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9275 - 9282
• a: 20.2463 ± 0.0017 Å
• b: 10.0309 ± 0.0009 Å
• c: 27.3713 ± 0.0017 Å
• α: 90°
• β: 115.731 ± 0.005°
• γ: 90°
• Cell volume: 5007.6 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No