Information card for entry 7006077

Structure parameters

• Chemical name: Bis(triethylselenonium) hexaiodozirconate(IV)
• Formula: C12 H30 I6 Se2 Zr
• Calculated formula: C12 H30 I6 Se2 Zr
• SMILES: C(C)[Se+](CC)CC.I[Zr](I)(I)(I)([I-])[I-].C(C)[Se+](CC)CC
• Title of publication: Thio- and seleno-ether complexes with Group 4 tetrahalides and tin tetrachloride: preparation and use in CVD for metal chalcogenide films.
• Authors of publication: Reid, Stuart D.; Hector, Andrew L.; Levason, William; Reid, Gillian; Waller, Benjamin J.; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4769 - 4777
• a: 14.1964 ± 0.001 Å
• b: 14.1964 ± 0.001 Å
• c: 14.1964 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2861.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No