Information card for entry 7716042

Structure parameters

• Formula: C14 H10 Br2
• Calculated formula: C14 H10 Br2
• SMILES: Brc1ccccc1/C=C\c1ccccc1Br
• Title of publication: Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of "photoswitchable" catalysts for olefin polymerization.
• Authors of publication: Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9452 - 9466
• a: 15.6067 ± 0.0017 Å
• b: 14.7909 ± 0.0018 Å
• c: 11.1941 ± 0.0015 Å
• α: 90°
• β: 108.258 ± 0.005°
• γ: 90°
• Cell volume: 2453.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No