Information card for entry 7005038

Structure parameters

• Formula: C8 H6 Br4 N4 Re
• Calculated formula: C8 H6 Br4 N4 Re
• SMILES: [Re]1(Br)(Br)(Br)(Br)[n]2cccnc2c2[n]1cccn2
• Title of publication: A novel series of rhenium-bipyrimidine complexes: synthesis, crystal structure and electrochemical properties.
• Authors of publication: Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cerdá, María Fernanda; Armentano, Donatella; De Munno, Giovanni; Martínez-Lillo, José; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 653 - 660
• a: 9.6216 ± 0.0009 Å
• b: 10.8583 ± 0.001 Å
• c: 13.4431 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No