Information card for entry 7025951

Structure parameters

• Common name: (Sm2(Me3SiNC(C6H4Ph)CHC(C6H4Ph)NSiMe3)3).hexane
• Formula: C105 H125 N6 Si6 Sm2
• Calculated formula: C104 H111 N6 Si6 Sm2
• SMILES: [Sm]12([N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[N]1([Sm]3([N]2([Si](C)(C)C)C(=CC=1c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)N([Si](C)(C)C)C(=CC(=[N]3[Si](C)(C)C)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[Si](C)(C)C.CCCCC
• Title of publication: Crystalline di- or trianionic metal (Al, Sm) beta-diketiminates.
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6426 - 6433
• a: 14.3495 ± 0.0006 Å
• b: 16.7924 ± 0.0009 Å
• c: 24.5587 ± 0.0014 Å
• α: 97.177 ± 0.003°
• β: 95.469 ± 0.003°
• γ: 111.259 ± 0.003°
• Cell volume: 5408.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No