Information card for entry 4345358

Structure parameters

• Formula: C206 H444 Fe18 N45 O110.5 Tb6
• Calculated formula: C206 H423 Fe18 N45 O110.5 Tb6
• Title of publication: Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.
• Authors of publication: Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1814 - 1822
• a: 15.7331 ± 0.0006 Å
• b: 22.8661 ± 0.0008 Å
• c: 24.5683 ± 0.0009 Å
• α: 78.169 ± 0.001°
• β: 81.104 ± 0.001°
• γ: 78.161 ± 0.001°
• Cell volume: 8408.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.095
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No