Information card for entry 7245759

Structure parameters

• Formula: C73 H51 Cl3 F36 Gd2 N10 O16
• Calculated formula: C73 H51 Cl3 F36 Gd2 N10 O16
• Title of publication: Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties
• Authors of publication: Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.643 ± 0.0009 Å
• b: 20.641 ± 0.0017 Å
• c: 21.2421 ± 0.0019 Å
• α: 78.757 ± 0.004°
• β: 82.776 ± 0.006°
• γ: 79.647 ± 0.006°
• Cell volume: 4482.5 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No