Information card for entry 7035176

Structure parameters

• Formula: C26 H20 Br4 Cu N6 O3 Re
• Calculated formula: C26 H20 Br4 Cu N6 O3 Re
• SMILES: [Re](Br)(Br)(Br)(Br)(N=O)[n]1cc(ccc1)C(=O)O[Cu]12([n]3c(c4[n]1cccc4)cccc3)[n]1ccccc1c1[n]2cccc1
• Title of publication: The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).
• Authors of publication: Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11636 - 11648
• a: 11.61543 ± 0.00013 Å
• b: 16.7655 ± 0.00016 Å
• c: 16.03665 ± 0.00017 Å
• α: 90°
• β: 94.4673 ± 0.001°
• γ: 90°
• Cell volume: 3113.47 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No