Information card for entry 7716174

Structure parameters

• Formula: C27 H44 Cr Fe P5
• Calculated formula: C27 H44 Cr Fe P5
• SMILES: [Fe]12345678([P]9%10[P]%113[Cr]3%12%13%14%15%169([P]1([P]4%11%12)[P]2%103)[cH]1[c]%15([c]%14([cH]%13[c]%161C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([c]5([c]8([c]6([c]71C)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: 12.1473 ± 0.0001 Å
• b: 13.601 ± 0.0001 Å
• c: 18.5936 ± 0.0002 Å
• α: 90°
• β: 101.468 ± 0.001°
• γ: 90°
• Cell volume: 3010.62 ± 0.05 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.15 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: 0.0328
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No