Information card for entry 4071856

Structure parameters

• Formula: C14 H20 Cl N Si2 Zr
• Calculated formula: C14 H20 Cl N Si2 Zr
• SMILES: [Zr]123456789%10(Cl)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
• 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: 31.325 ± 0.0008 Å
• b: 31.325 ± 0.0008 Å
• c: 7.0407 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6908.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No