Information card for entry 7023652

Structure parameters

• Formula: C20 H40 Br4 N4 O Re
• Calculated formula: C20 H40 Br4 N4 O Re
• SMILES: [Re](N=O)([n]1cnccc1)(Br)(Br)(Br)Br.[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: 8.909 ± 0.004 Å
• b: 10.891 ± 0.003 Å
• c: 16.565 ± 0.002 Å
• α: 96.35 ± 0.02°
• β: 92.01 ± 0.02°
• γ: 109.79 ± 0.04°
• Cell volume: 1498.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No