Information card for entry 7023650

Structure parameters

• Formula: C21 H41 Br4 N3 O Re
• Calculated formula: C21 H41 Br4 N3 O Re
• SMILES: [Re](Br)(Br)(Br)(Br)([n]1ccccc1)N=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).
• Authors of publication: Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15361 - 15371
• a: 8.894 ± 0.002 Å
• b: 10.831 ± 0.003 Å
• c: 16.488 ± 0.005 Å
• α: 96.111 ± 0.009°
• β: 91.754 ± 0.009°
• γ: 110.671 ± 0.009°
• Cell volume: 1473.6 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No