Information card for entry 4084071

Structure parameters

• Common name: compound 5
• Formula: C26 H28 B2 O2 P2
• Calculated formula: C26 H27.474 B2 O2 P2
• Title of publication: Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest
• Authors of publication: Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4086
• a: 11.5919 ± 0.0008 Å
• b: 8.693 ± 0.0006 Å
• c: 12.5598 ± 0.0008 Å
• α: 90°
• β: 106.365 ± 0.001°
• γ: 90°
• Cell volume: 1214.36 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No