Information card for entry 7230631

Structure parameters

• Formula: C6 Cl4 O2
• Calculated formula: C6 Cl4 O2
• Title of publication: Characterization of the short OC⋯OC π-hole tetrel bond in the solid state
• Authors of publication: Shukla, Rahul; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 3308
• a: 8.5371 ± 0.0007 Å
• b: 5.6623 ± 0.0004 Å
• c: 8.6712 ± 0.0007 Å
• α: 90°
• β: 105.946 ± 0.004°
• γ: 90°
• Cell volume: 403.03 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No