Information card for entry 2237532

Structure parameters

• Chemical name: Tris[dimethyl (benzoylamido)phosphato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')neodymium(III)
• Formula: C39 H41 N5 Nd O12 P3
• Calculated formula: C39 H41 N5 Nd O12 P3
• SMILES: [Nd]1234([O]=P(OC)(OC)N=C(O1)c1ccccc1)([O]=P(OC)(OC)N=C(O2)c1ccccc1)([O]=P(OC)(OC)N=C(O3)c1ccccc1)[n]1c2c3[n]4cccc3ccc2ccc1
• Title of publication: Tris[dimethyl (benzoylamido)phosphato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')neodymium(III)
• Authors of publication: Kariaka, Nataliia S.; Trush, Victor A.; Medviediev, Volodymyr V.; Sliva, Tetyana Yu.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m143
• a: 13.0418 ± 0.0004 Å
• b: 17.8453 ± 0.0007 Å
• c: 21.8391 ± 0.0009 Å
• α: 106.915 ± 0.003°
• β: 104.977 ± 0.003°
• γ: 104.125 ± 0.003°
• Cell volume: 4408.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes