Information card for entry 7707972

Structure parameters

• Chemical name: tBuPONNOP
• Formula: C24 H40 N2 O2 P2
• Calculated formula: C24 H40 N2 O2 P2
• SMILES: P(Oc1nc2nc(OP(C(C)(C)C)C(C)(C)C)ccc2cc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.
• Authors of publication: Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11909 - 11917
• a: 6.319 ± 0.0007 Å
• b: 14.4208 ± 0.0018 Å
• c: 15.1492 ± 0.0015 Å
• α: 83.368 ± 0.009°
• β: 87.909 ± 0.008°
• γ: 77.724 ± 0.01°
• Cell volume: 1339.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No