Information card for entry 4071855

Structure parameters

• Formula: C16 H26 N2 Si2 Zr
• Calculated formula: C16 H26 N2 Si2 Zr
• SMILES: [Zr]123456789%10(N([Si]([c]%111[cH]2[cH]3[cH]4[cH]5%11)(C)C)[Si]([c]16[cH]7[cH]8[cH]9[cH]%101)(C)C)N(C)C
• Title of publication: The New Tridentate Ligand CpSiNSiCp and Its Zirconium Complexes: Incorporation of Two Bridged Constrained-Geometry Units into One Molecule
• Authors of publication: Wang, Cun; Luo, He-Kuan; van Meurs, Martin; Stubbs, Ludger P.; Wong, Pui-Kwan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2908
• a: 8.7632 ± 0.0006 Å
• b: 27.233 ± 0.002 Å
• c: 8.4558 ± 0.0006 Å
• α: 90°
• β: 110.744 ± 0.002°
• γ: 90°
• Cell volume: 1887.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No