Information card for entry 4345958

Structure parameters

• Formula: C28 H34 Br4 Co2 N8
• Calculated formula: C28 H34 Br4 Co2 N8
• SMILES: [Co]1(Br)(Br)[n]2c(cc(C)n2C(c2cccc(C3n4c(cc(C)[n]4[Co](Br)(Br)[n]4c(cc(C)n34)C)C)c2)n2c(cc(C)[n]12)C)C
• Title of publication: Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.
• Authors of publication: Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 8.7243 ± 0.0006 Å
• b: 31.462 ± 0.002 Å
• c: 12.4239 ± 0.0009 Å
• α: 90°
• β: 96.772 ± 0.002°
• γ: 90°
• Cell volume: 3386.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No