Information card for entry 7035175

Structure parameters

• Formula: C34 H32 Br4 Mn N6 O5 Re
• Calculated formula: C34 H32 Br4 Mn N6 O5 Re
• SMILES: [Re](Br)(Br)(Br)(Br)(N=O)[n]1cc(C2=[O][Mn]3([n]4c(ccc5ccc6ccc([n]3c6c45)C)C)([OH2])(O2)[OH2])ccc1.n1c(ccc2ccc3ccc(nc3c12)C)C
• 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: 10.96409 ± 0.00015 Å
• b: 19.3015 ± 0.0003 Å
• c: 18.0987 ± 0.0003 Å
• α: 90°
• β: 96.1198 ± 0.0013°
• γ: 90°
• Cell volume: 3808.28 ± 0.1 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: 0.0276
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No