Information card for entry 7033068

Structure parameters

• Formula: C45 H66 Ca N2 O Si
• Calculated formula: C45 H66 Ca N2 O Si
• SMILES: [Ca]12345678([Si]9([N](=C(N9C(C)(C)C)c9ccccc9)C(C)(C)C)Oc9ccccc9C(C)(C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Unprecedented silicon(II)→calcium complexes with N-heterocyclic silylenes.
• Authors of publication: Blom, Burgert; Klatt, Günter; Gallego, Daniel; Tan, Gengwen; Driess, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 639 - 644
• a: 10.7411 ± 0.0001 Å
• b: 14.4017 ± 0.0001 Å
• c: 27.9573 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4324.72 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No