Information card for entry 4087335

Structure parameters

• Formula: C38 H52 P Sm
• Calculated formula: C38 H52 P Sm
• SMILES: [Sm]12345678([cH]9[c]4([cH]3[cH]2[c]19C(C)(C)C)C(C)(C)C)([cH]1[c]8([cH]7[cH]6[c]51C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1
• Title of publication: Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways
• Authors of publication: Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1287
• a: 15.39253 ± 0.00016 Å
• b: 10.93288 ± 0.00011 Å
• c: 20.4512 ± 0.0002 Å
• α: 90°
• β: 90.9818 ± 0.0009°
• γ: 90°
• Cell volume: 3441.12 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No