Information card for entry 7703823

Structure parameters

• Common name: cappa-[FeI{(R,R)-Me-DuPhos}2]I2Â.H2O
• Formula: C36 H58 Fe I2 O P4
• Calculated formula: C36 H58 Fe I2 O 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: 11.3411 ± 0.0003 Å
• b: 20.8867 ± 0.0004 Å
• c: 17.3185 ± 0.0003 Å
• α: 90°
• β: 103.587 ± 0.002°
• γ: 90°
• Cell volume: 3987.57 ± 0.15 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No