Information card for entry 1549356

Structure parameters

• Common name: (AsPh4)2ZrCl6
• Chemical name: Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate
• Formula: C56 H52 As2 Cl6 N4 Zr
• Calculated formula: C56 H52 As2 Cl6 N4 Zr
• SMILES: [Zr](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC.N#CC
• Title of publication: Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate
• Authors of publication: Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180528
• a: 9.6505 ± 0.0007 Å
• b: 19.378 ± 0.0013 Å
• c: 15.1026 ± 0.001 Å
• α: 90°
• β: 97.849 ± 0.001°
• γ: 90°
• Cell volume: 2797.8 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes