Information card for entry 4001229

Structure parameters

• Chemical name: bis(eta5-cyclopentadienyl)bis(t-butylselenolato)zirconium(IV)
• Formula: C18 H28 Se2 Zr
• Calculated formula: C18 H28 Se2 Zr
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Zr]16782345([cH]2[cH]1[cH]7[cH]8[cH]62)([Se]C(C)(C)C)[Se]C(C)(C)C
• Title of publication: Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)
• Authors of publication: Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 5100
• a: 10.026 ± 0.002 Å
• b: 10.026 ± 0.002 Å
• c: 19.288 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1938.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No