Information card for entry 7703492

Structure parameters

• Formula: C28 H56 B2 O2 P2
• Calculated formula: C28 H56 B2 O2 P2
• Title of publication: Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.
• Authors of publication: Leforestier, Baptiste; 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: 2087 - 2101
• a: 15.09343 ± 0.00009 Å
• b: 12.86467 ± 0.00007 Å
• c: 32.65837 ± 0.00016 Å
• α: 90°
• β: 90.5535 ± 0.0005°
• γ: 90°
• Cell volume: 6341.04 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No