Information card for entry 7716687

Structure parameters

• Formula: C40 H32 Cu2 N4 O14 V2
• Calculated formula: C40 H32 Cu2 N4 O14 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: 20.1187 ± 0.0008 Å
• b: 10.8875 ± 0.0004 Å
• c: 18.4955 ± 0.0007 Å
• α: 90°
• β: 109.576 ± 0.004°
• γ: 90°
• Cell volume: 3817.1 ± 0.3 ų
• Cell temperature: 303.58 ± 0.17 K
• Ambient diffraction temperature: 303.58 ± 0.17 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No