Information card for entry 7702797

Structure parameters

• Formula: C4 H10 Cl4 Hf Se2
• Calculated formula: C4 H10 Cl4 Hf Se2
• 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: 7.4864 ± 0.0002 Å
• b: 11.5652 ± 0.0004 Å
• c: 8.1257 ± 0.0002 Å
• α: 90°
• β: 116.501 ± 0.002°
• γ: 90°
• Cell volume: 629.61 ± 0.03 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 2.282
• Goodness-of-fit parameter for all reflections included in the refinement: 2.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No