Information card for entry 7049802

Structure parameters

• Formula: C72 H90 Cl3 Fe3 N6 O3
• Calculated formula: C72 H90 Cl3 Fe3 N6 O3
• Title of publication: Isolation of chloride- and hydride-bridged tri-iron and -zinc clusters in a tris(β-oxo-δ-diimine) cyclophane ligand.
• Authors of publication: Hong, Dae Ho; Knight, Brian J.; Catalano, Vincent J.; Murray, Leslie J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9570 - 9575
• a: 12.9148 ± 0.0013 Å
• b: 22.857 ± 0.002 Å
• c: 23.15 ± 0.002 Å
• α: 90°
• β: 98.891 ± 0.002°
• γ: 90°
• Cell volume: 6751.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1764
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No