Information card for entry 7716689

Structure parameters

• Formula: C44 H40 Cu2 N4 O10 V2
• Calculated formula: C44 H40 Cu2 N4 O10 V2
• Title of publication: Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.
• Authors of publication: Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 13207 - 13215
• a: 9.0873 ± 0.0002 Å
• b: 13.3569 ± 0.0003 Å
• c: 17.7604 ± 0.0003 Å
• α: 86.312 ± 0.002°
• β: 80.406 ± 0.001°
• γ: 72.478 ± 0.002°
• Cell volume: 2026.72 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.089
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No