Information card for entry 7115655

Structure parameters

• Formula: C54 H66 Cl2 N4 Si2 Zn2
• Calculated formula: C54 H66 Cl2 N4 Si2 Zn2
• SMILES: c1(ccccc1)[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[Zn]1(c2ccccc2)[Cl][Zn](c2ccccc2)([Cl]1)[Si]1(c2ccccc2)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Zinc-silylene complexes
• Authors of publication: Sebastian Schafer; Ralf Koppe; Michael T. Gamer; Peter W. Roesky
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11401
• a: 12.479 ± 0.003 Å
• b: 14.937 ± 0.003 Å
• c: 14.85 ± 0.003 Å
• α: 90°
• β: 104.21 ± 0.03°
• γ: 90°
• Cell volume: 2683.3 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No