Information card for entry 7043979

Structure parameters

• Formula: C36 H76 Cl10 N4 Re2
• Calculated formula: C36 H76 Cl10 N4 Re2
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)(Cl)[n]1cc[n]([Re](Cl)(Cl)(Cl)(Cl)Cl)cc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(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: 15.6173 ± 0.0003 Å
• b: 19.3882 ± 0.0004 Å
• c: 16.8316 ± 0.0004 Å
• α: 90°
• β: 91.5337 ± 0.0019°
• γ: 90°
• Cell volume: 5094.64 ± 0.19 ų
• Cell temperature: 294.75 ± 0.1 K
• Ambient diffraction temperature: 294.75 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No