Information card for entry 7015107

Structure parameters

• Formula: C37 H46 Cl3 N5 O2 Si Zr
• Calculated formula: C37 H46 Cl3 N5 O2 Si Zr
• SMILES: [Zr]12(Cl)(Cl)(Cl)([O]3CCCC3)[NH]=C(N([Si](N(C)C)([N]1=C(N2c1ccccc1)c1ccccc1)C)c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.
• Authors of publication: Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4236 - 4241
• a: 14.7016 ± 0.0017 Å
• b: 20.676 ± 0.002 Å
• c: 26.029 ± 0.003 Å
• α: 90°
• β: 90.506 ± 0.002°
• γ: 90°
• Cell volume: 7911.7 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No