Information card for entry 4080123

Structure parameters

• Formula: C32 H38 Cl2 Er N O P2 S Si
• Calculated formula: C32 H38 Cl2 Er N O P2 S Si
• 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: 9.74712 ± 0.00017 Å
• b: 33.7383 ± 0.0008 Å
• c: 11.55968 ± 0.00022 Å
• α: 90°
• β: 111.596 ± 0.0014°
• γ: 90°
• Cell volume: 3534.55 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No