Information card for entry 7052709

Structure parameters

• Formula: C62 H72 Br4 Cl0 N4 Pd2
• Calculated formula: C62 H72 Br4 N4 Pd2
• SMILES: C12c3c4c5c(C6C(c5cc3)=[N](c3c(cccc3C(C)C)C(C)C)[Pd]([N]=6c3c(cccc3C(C)C)C(C)C)(Br)Br)ccc4C1=[N]([Pd]([N]=2c1c(cccc1C(C)C)C(C)C)(Br)Br)c1c(cccc1C(C)C)C(C)C
• Title of publication: New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand
• Authors of publication: Vasudevan, Kalyan V.; Cowley, Alan H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2043
• a: 19.605 ± 0.005 Å
• b: 15.173 ± 0.005 Å
• c: 23.927 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7117 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No