Information card for entry 4349590

Structure parameters

• Formula: C106 H160 Cl4 N5 Ni4 O31 Tb
• Calculated formula: C106 H123 Cl4 N5 Ni4 O31 Tb
• Title of publication: Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles
• Authors of publication: Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 595
• a: 20.3895 ± 0.0007 Å
• b: 33.1075 ± 0.0012 Å
• c: 21.087 ± 0.0008 Å
• α: 90°
• β: 115.982 ± 0.002°
• γ: 90°
• Cell volume: 12796 ± 0.8 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.1268
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No