Information card for entry 7703684

Structure parameters

• Formula: C30 H62 B2 N O2 P2
• Calculated formula: C30 H62 B2 N O2 P2
• Title of publication: Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.
• Authors of publication: Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2077 - 2086
• a: 25.6216 ± 0.0004 Å
• b: 7.714 ± 0.0001 Å
• c: 35.6578 ± 0.0006 Å
• α: 90°
• β: 102.897 ± 0.002°
• γ: 90°
• Cell volume: 6869.8 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No