Information card for entry 7043980

Structure parameters

• Formula: C35 H75 Br10 N5 Re2
• Calculated formula: C35 H75 Br10 N5 Re2
• SMILES: c1[n](c[n](cn1)[Re](Br)(Br)(Br)(Br)Br)[Re](Br)(Br)(Br)(Br)Br.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.
• Authors of publication: Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 23.7287 ± 0.0005 Å
• b: 11.12035 ± 0.00019 Å
• c: 20.8616 ± 0.0005 Å
• α: 90°
• β: 108.371 ± 0.002°
• γ: 90°
• Cell volume: 5224.2 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No