Information card for entry 7015115

Structure parameters

• Formula: C32 H31 Br2 N9 Ru
• Calculated formula: C32 H31 Br2 N9 Ru
• SMILES: [Ru]1234([n]5c(CN6C=3N(C=C6)C)cccc5CN3C=4N(C=C3)C)[n]3c(c4[n]1cccc4)cccc3c1[n]2cccc1.[Br-].[Br-].N#CC
• Title of publication: Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.
• Authors of publication: Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3683 - 3688
• a: 37.1 ± 0.01 Å
• b: 11.357 ± 0.006 Å
• c: 16.695 ± 0.002 Å
• α: 90°
• β: 116.36 ± 0.02°
• γ: 90°
• Cell volume: 6303 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections: 1.505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.505
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No