Information card for entry 7018760

Structure parameters

• Formula: C31 H21 N5
• Calculated formula: C31 H21 N5
• SMILES: n1(c2ccccc2cc1c1ncccc1)c1ccc(n2c3ccccc3nc2c2ncccc2)cc1
• Title of publication: Ru-Pt and Ru-Pd heterobimetallic complexes based on a new ligand with two distinct chelate sites.
• Authors of publication: Wang, Nan; Lu, Jia-Sheng; McCormick, Theresa M.; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5553 - 5561
• a: 7.578 ± 0.004 Å
• b: 10.822 ± 0.005 Å
• c: 28.38 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No