Information card for entry 7030827

Structure parameters

• Formula: C30.5 H53 N6 Si3 Y
• Calculated formula: C27 H49 N6 Si3 Y
• SMILES: [Y]1234567(N([SiH](C)C)[Si](N2[SiH](C)C)(C)C)[n]2n(c(cc2C)C)C(n2[n]1c(cc2C)C)C([c]14[cH]5[cH]6[cH]7[cH]31)C(C)(C)C
• Title of publication: Synthesis and structural characterization of amido scorpionate rare earth metals complexes.
• Authors of publication: Márquez-Segovia, Isabel; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Castro-Osma, José Antonio; Sánchez-Barba, Luis F; Rodríguez, Ana M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9586 - 9595
• a: 24.434 ± 0.002 Å
• b: 9.908 ± 0.0007 Å
• c: 31.464 ± 0.001 Å
• α: 90°
• β: 105.003 ± 0.004°
• γ: 90°
• Cell volume: 7357.5 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No