Information card for entry 4087334

Structure parameters

• Formula: C72 H96 O2 P2 Sm2
• Calculated formula: C72 H96 O2 P2 Sm2
• SMILES: [P]1([Sm]23456789([c]%10([c]2(C)[c]3(C)[c]4([c]5%10C)C)C)([c]2([c]9([c]8([c]7(C)[c]62C)C)C)C)OCCCC[P]([Sm]23456789(OCCCC1)([c]1([c]2(C)[c]3(C)[c]4([c]51C)C)C)[c]1([c]9(C)[c]8([c]7(C)[c]61C)C)C)(c1ccccc1)c1ccccc1)(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: 10.6426 ± 0.0003 Å
• b: 11.5158 ± 0.0003 Å
• c: 13.8236 ± 0.0006 Å
• α: 73.301 ± 0.003°
• β: 87.674 ± 0.003°
• γ: 84.906 ± 0.002°
• Cell volume: 1616.13 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No