Information card for entry 7710048

Structure parameters

• Chemical name: sodium di-tert-butyl indenide tris(dimethoxyethane) adduct
• Formula: C29 H53 Na O6
• Calculated formula: C29 H53 Na O6
• SMILES: [Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](CC[O]3C)C.[cH-]1c(c2ccccc2c1C(C)(C)C)C(C)(C)C
• Title of publication: Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.
• Authors of publication: Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 11.6172 ± 0.0002 Å
• b: 15.965 ± 0.0003 Å
• c: 17.7264 ± 0.0004 Å
• α: 90°
• β: 103.59 ± 0.001°
• γ: 90°
• Cell volume: 3195.64 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No