Information card for entry 7000406

Structure parameters

• Formula: C23 H16 Br2 N4
• Calculated formula: C23 H16 Br2 N4
• SMILES: c1ccc2ccc3C(=CC(C)(c4cccc(n4)Br)Nc3c2n1)c1cccc(n1)Br
• Title of publication: Direct synthesis of a new class of N,N,N ligands based on 1,2-dihydro-1,10-phenanthroline backbone and their coordination to Pd complexes
• Authors of publication: Rangheard, Claudine; Proriol, David; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 770 - 772
• a: 10.5388 ± 0.0007 Å
• b: 19.5573 ± 0.0008 Å
• c: 10.6246 ± 0.0007 Å
• α: 90°
• β: 112.491 ± 0.002°
• γ: 90°
• Cell volume: 2023.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No