Information card for entry 7024152

Structure parameters

• Formula: C33 H45 O3 Pr
• Calculated formula: C33 H45 O3 Pr
• SMILES: [Pr]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes.
• Authors of publication: Wooles, Ashley J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 500 - 510
• a: 14.161 ± 0.0017 Å
• b: 10.536 ± 0.0013 Å
• c: 20.775 ± 0.003 Å
• α: 90°
• β: 101.262 ± 0.002°
• γ: 90°
• Cell volume: 3040 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No