Information card for entry 1559723

Structure parameters

• Formula: C34 H51 Ca I N2 Si
• Calculated formula: C34 H51 Ca I N2 Si
• SMILES: I[Ca]12345678([c]9([SiH]%10[N](=C(N%10C(C)(C)C)c%10ccccc%10)C(C)(C)C)[c]1([c]2([c]3([c]49C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination
• Authors of publication: Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 12446 - 12452
• a: 10.2454 ± 0.0007 Å
• b: 12.6409 ± 0.0009 Å
• c: 15.4096 ± 0.0009 Å
• α: 105.459 ± 0.005°
• β: 107.476 ± 0.005°
• γ: 100.998 ± 0.005°
• Cell volume: 1753.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0499
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No