Information card for entry 7004852

Structure parameters

• Formula: C37 H33 Br5 Co N8 O2 Re
• Calculated formula: C37 H33 Br5 Co N8 O2 Re
• SMILES: c1c2C(=O)O[Co]34([n]2cc[n]1[Re](Br)(Br)(Br)(Br)Br)([n]1c(ccc2ccc5ccc(C)[n]3c5c12)C)[n]1c(ccc2ccc3ccc(C)[n]4c3c12)C.CC#N.CC#N
• Title of publication: Magnetic properties and molecular structures of binuclear (2-pyrazinecarboxylate)-bridged complexes containing Re(IV) and M(II) (M = Co, Ni).
• Authors of publication: Cuevas, Alicia; Kremer, Carlos; Hummert, Markus; Schumann, Herbert; Lloret, Francesc; Julve, Miguel; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 342 - 350
• a: 23.483 ± 0.003 Å
• b: 17.0434 ± 0.0016 Å
• c: 20.7 ± 0.003 Å
• α: 90°
• β: 101.962 ± 0.016°
• γ: 90°
• Cell volume: 8104.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No