Information card for entry 4082640

Structure parameters

• Formula: C26 H44 Cl2 Sn2 Zr
• Calculated formula: C26 H44 Cl2 Sn2 Zr
• SMILES: [Sn]1([Sn]([c]23[Zr]456789%10(Cl)(Cl)([c]%111[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[cH]3%10)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Structure of Group IV Distanna[2]metallocenophanes
• Authors of publication: Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 254
• a: 15.8596 ± 0.0007 Å
• b: 9.1144 ± 0.0004 Å
• c: 20.3891 ± 0.0009 Å
• α: 90°
• β: 94.04 ± 0.001°
• γ: 90°
• Cell volume: 2939.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0195
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No