Information card for entry 1556466

Structure parameters

• Formula: C32 H28 Br O8 Ru2
• Calculated formula: C32 H28 Br O8 Ru2
• SMILES: [Ru]1234[O]=C(c5ccc(cc5)C)O[Ru]2([O]=C(c2ccc(cc2)C)O1)(OC(c1ccc(cc1)C)=[O]3)([O]=C(c1ccc(cc1)C)O4)[Br][Ru]1234[O]=C(c5ccc(cc5)C)O[Ru]2([O]=C(c2ccc(cc2)C)O1)(OC(c1ccc(cc1)C)=[O]3)([O]=C(c1ccc(cc1)C)O4)[Br]
• Title of publication: Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties
• Authors of publication: Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.
• Journal of publication: Inorganics
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 524 - 536
• a: 12.9939 ± 0.0007 Å
• b: 10.1996 ± 0.0005 Å
• c: 24.8297 ± 0.0016 Å
• α: 90°
• β: 94.623 ± 0.005°
• γ: 90°
• Cell volume: 3280 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No