Information card for entry 7050371

Structure parameters

• Formula: C18 H44 La N3 O21 P4
• Calculated formula: C18 H44 La N3 O21 P4
• SMILES: [La]12345(ON(=[O]3)=O)(ON(=[O]4)=O)([O]=P(OCC)(OCC)CP(=[O]1)(OCC)OCC)([O]=P(OCC)(OCC)CP(=[O]2)(OCC)OCC)ON(=[O]5)=O
• Title of publication: Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates
• Authors of publication: Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 1457
• a: 8.8205 ± 0.0011 Å
• b: 20.0885 ± 0.0006 Å
• c: 20.63 ± 0.0014 Å
• α: 90°
• β: 91.716 ± 0.016°
• γ: 90°
• Cell volume: 3653.8 ± 0.5 ų
• Cell temperature: 0 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No