Information card for entry 2203658

Structure parameters

• Formula: C75 H60 N3 Nd O4 P4 S3
• Calculated formula: C75 H60 N3 Nd O4 P4 S3
• Title of publication: Triisothiocyanatotetrakis(triphenylphosphine oxide)neodymium(III)
• Authors of publication: Feazell, Rodney P.; Gary, John Brannon; Kautz, Jason A.; Klausmeyer, Kevin K.; Wong, Ching Wah; Zancanella, Manuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m532 - m534
• a: 13.1276 ± 0.0006 Å
• b: 23.4257 ± 0.001 Å
• c: 22.4129 ± 0.001 Å
• α: 90°
• β: 102.66 ± 0.002°
• γ: 90°
• Cell volume: 6724.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes