Information card for entry 4075736

Structure parameters

• Formula: C26 H42 Si3 Zr
• Calculated formula: C26 H42 Si3 Zr
• SMILES: [Zr]123456789%10%11([CH]([Si](C)(C)C)=[C]1=C2C([Si](C)(C)C)C(=C3[Si](C)(C)C)C)([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]1[cH]%11[cH]%10[cH]9[cH]81
• Title of publication: Synthesis and Structure of Seven-Membered Metallacyclic Alkynes
• Authors of publication: Suzuki, Noriyuki; Aihara, Naoto; Iwasaki, Masakazu; Saburi, Masahiko; Chihara, Teiji
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 791
• a: 11.041 ± 0.001 Å
• b: 19.729 ± 0.003 Å
• c: 25.44 ± 0.004 Å
• α: 90°
• β: 98.759 ± 0.006°
• γ: 90°
• Cell volume: 5476.9 ± 1.3 ų
• Cell temperature: 108.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.612
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No