Information card for entry 1569234

Structure parameters

• Formula: C41 H68 Fe N3 P Te
• Calculated formula: C41 H68 Fe N3 P Te
• SMILES: [Fe]12([Te]=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)[n]3c(cccc3c3n2c(cc3C(C)(C)C)C(C)(C)C)c2n1c(cc2C(C)(C)C)C(C)(C)C
• Title of publication: Isostructural bridging diferrous chalcogenide cores [Fe^II(μ-E)Fe^II] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.
• Authors of publication: Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6770 - 6779
• a: 10.26323 ± 0.00012 Å
• b: 24.3533 ± 0.0002 Å
• c: 16.73625 ± 0.00017 Å
• α: 90°
• β: 97.7035 ± 0.0011°
• γ: 90°
• Cell volume: 4145.36 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No