Information card for entry 7010077

Structure parameters

• Formula: C34 H47 O3 P
• Calculated formula: C34 H47 O3 P
• SMILES: P(=O)(c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: Isolation, structural and spectroscopic investigations of complexes with tridentate [O,P,O] and [O,O,O] donor ligands
• Authors of publication: Siefert, Rolf; Weyhermüller, Thomas; Chaudhuri, Phalguni
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4656
• a: 10.153 ± 0.001 Å
• b: 21.418 ± 0.003 Å
• c: 14.176 ± 0.002 Å
• α: 90°
• β: 97.8 ± 0.02°
• γ: 90°
• Cell volume: 3054.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.1158
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No