Information card for entry 7716175

Structure parameters

• Formula: C27 H44 Fe Mn P5
• Calculated formula: C27 H44 Fe Mn P5
• SMILES: [Mn]12345678([P]9%10[Fe]%11%12%13%14%15%16%17([P]19[P]4%13[P]2%11[P]3%10%12)[c]1([c]%16([c]%14([c]%15([c]%171C)C)C)C)C)[cH]1[c]5([cH]6[c]8([c]71C(C)(C)C)C(C)(C)C)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: 12.1478 ± 0.0001 Å
• b: 13.553 ± 0.0001 Å
• c: 18.5913 ± 0.0002 Å
• α: 90°
• β: 101.65 ± 0.001°
• γ: 90°
• Cell volume: 2997.8 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No