Information card for entry 7013838

Structure parameters

• Formula: C54 H65 Fe O2 Sb
• Calculated formula: C54 H65 Fe O2 Sb
• SMILES: [Sb]([Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])(C1c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)C1c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.
• Authors of publication: Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 659 - 667
• a: 10.341 ± 0.0001 Å
• b: 15.214 ± 0.0001 Å
• c: 16.221 ± 0.0002 Å
• α: 89.823 ± 0.0005°
• β: 73.759 ± 0.0004°
• γ: 72.133 ± 0.0005°
• Cell volume: 2322.43 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.04
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No