Information card for entry 7702798

Structure parameters

• Formula: C6 H16 Cl12 S2 Zr2
• Calculated formula: C6 H16 Cl12 S2 Zr2
• Title of publication: Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands
• Authors of publication: Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3153
• a: 9.2646 ± 0.0003 Å
• b: 14.529 ± 0.0005 Å
• c: 9.3074 ± 0.0004 Å
• α: 90°
• β: 91.97 ± 0.0011°
• γ: 90°
• Cell volume: 1252.09 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No