Information card for entry 7703824

Structure parameters

• Common name: delta-[FeI{(S,S)-Me-DuPhos}2](ClO4)
• Formula: C36 H56 Cl Fe I O4 P4
• Calculated formula: C36 H56 Cl Fe I O4 P4
• Title of publication: Configurational landscape of chiral iron(ii) bis(phosphane) complexes.
• Authors of publication: Estevan, Francisco; Feliz, Marta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4528 - 4538
• a: 11.23747 ± 0.00014 Å
• b: 20.9195 ± 0.0003 Å
• c: 33.7258 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7928.34 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No