Information card for entry 7004029

Structure parameters

• Formula: C20 H40 Cl5 N3 Re
• Calculated formula: C20 H40 Cl5 N3 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)(Cl)[n]1ccncc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Pentachloro(pyrazine)rhenate(iv) complex as precursor of heterobimetallic pyrazine-containing ReIV2MII (M = Ni, Cu) species: synthesis, crystal structures and magnetic properties
• Authors of publication: Martínez-Lillo, José; Armentano, Donatella; Marino, Nadia; Arizaga, Livia; Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cano, Joan; Faus, Juan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4585
• a: 10.83 ± 0.0006 Å
• b: 33.117 ± 0.0019 Å
• c: 8.6825 ± 0.0005 Å
• α: 90°
• β: 111.901 ± 0.001°
• γ: 90°
• Cell volume: 2889.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No