Information card for entry 4345071

Structure parameters

• Formula: C58 H118 Er2 Fe4 N16 O26
• Calculated formula: C58 H118 Er2 Fe4 N16 O26
• 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: 12.346 ± 0.0014 Å
• b: 13.8164 ± 0.0016 Å
• c: 13.9592 ± 0.0016 Å
• α: 116.184 ± 0.002°
• β: 98.375 ± 0.002°
• γ: 101.348 ± 0.002°
• Cell volume: 2020.5 ± 0.4 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: 0.0458
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1014
• 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