Information card for entry 4345357

Structure parameters

• Formula: C194 H413 Fe18 Gd6 N43 O106
• Calculated formula: C194 H393 Fe18 Gd6 N43 O106
• 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: 15.4512 ± 0.0018 Å
• b: 23.102 ± 0.003 Å
• c: 24.516 ± 0.003 Å
• α: 78.394 ± 0.003°
• β: 81.559 ± 0.004°
• γ: 77.193 ± 0.004°
• Cell volume: 8310.9 ± 1.8 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: 0.1773
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No