Information card for entry 7716178

Structure parameters

• Formula: C44 H73 As5 Fe Ni2
• Calculated formula: C44 H73 As5 Fe Ni2
• 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: 12.4331 ± 0.0002 Å
• b: 12.5276 ± 0.0002 Å
• c: 17.9814 ± 0.0003 Å
• α: 72.591 ± 0.001°
• β: 70.595 ± 0.001°
• γ: 64.918 ± 0.002°
• Cell volume: 2351.07 ± 0.08 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No