Information card for entry 7028958

Structure parameters

• Formula: C53 H45 N6 O10 P2 Sm
• Calculated formula: C53 H45 N6 O10 P2 Sm
• SMILES: [Sm]12345([O]=NO1)([O]=NO2)([O]=NO3)([O]=NO4)[O]=NO5.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccccc1
• Title of publication: Nitrite complexes of the rare earth elements.
• Authors of publication: Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4415 - 4425
• a: 17.8243 ± 0.0008 Å
• b: 13.6518 ± 0.0003 Å
• c: 22.0678 ± 0.001 Å
• α: 90°
• β: 109.511 ± 0.002°
• γ: 90°
• Cell volume: 5061.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No