Information card for entry 7029727

Structure parameters

• Formula: C47 H75 N P Sc Si2
• Calculated formula: C47 H75 N P Sc Si2
• SMILES: [c]123[cH]4[c]56[c]7([cH]1[Sc]3467(C[Si](C)(C)C)(C[Si](C)(C)C)[N](C13CC4CC(C3)CC(C1)C4)=P2(c1ccccc1)c1ccccc1)C(CC5(C)C)(C)C.CCCCC
• Title of publication: Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.
• Authors of publication: Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7109 - 7120
• a: 12.2478 ± 0.0007 Å
• b: 12.4919 ± 0.0007 Å
• c: 15.8094 ± 0.0008 Å
• α: 82.808 ± 0.004°
• β: 87.696 ± 0.004°
• γ: 84.852 ± 0.004°
• Cell volume: 2389.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No