Information card for entry 7716177

Structure parameters

• Formula: C44 H73 As5 Fe3
• Calculated formula: C44 H73 As5 Fe3
• SMILES: [As]123[As]45[As]671[As]18[As]([Fe]9%10%11%12461[c]1([cH]9[c]%11([cH]%12[c]%101C(C)(C)C)C(C)(C)C)C(C)(C)C)([Fe]1469278[c]2([c]1([cH]6[c]9([cH]42)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]124635[c]3([c]1([c]6([c]4([c]23C)C)C)C)C
• Title of publication: Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η⁵-E₅)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.
• Authors of publication: Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10201 - 10207
• a: 19.3773 ± 0.0002 Å
• b: 10.8708 ± 0.0001 Å
• c: 22.7856 ± 0.0002 Å
• α: 90°
• β: 106.228 ± 0.001°
• γ: 90°
• Cell volume: 4608.48 ± 0.08 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No