Information card for entry 4080126

Structure parameters

• Formula: C36 H58 Er N3 P2 S Si5
• Calculated formula: C36 H58 Er N3 P2 S Si5
• Title of publication: (Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry
• Authors of publication: Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1500 - 1506
• a: 17.9443 ± 0.0006 Å
• b: 18.0724 ± 0.0003 Å
• c: 28.227 ± 0.001 Å
• α: 90°
• β: 92.458 ± 0.003°
• γ: 90°
• Cell volume: 9145.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No