Information card for entry 7223314

Structure parameters

• Formula: C26 H19 Cl3 N7 Re
• Calculated formula: C26 H19 Cl3 N7 Re
• SMILES: [Re]12([n]3ccccc3c3[n]1c(c(nc3c1ncccc1)c1ncccc1)c1[n]2cccc1)(Cl)(Cl)Cl.C(#N)C
• Title of publication: Synthesis, crystal structure and magnetic properties of the complex [ReCl3(tppz)] . MeCN
• Authors of publication: Palion, Joanna; Gryca, I.; Machura, Barbara; Lloret, Francesc; Julve, Miguel
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.9278 ± 0.0004 Å
• b: 10.2675 ± 0.0002 Å
• c: 17.3725 ± 0.0005 Å
• α: 90°
• β: 99.442 ± 0.003°
• γ: 90°
• Cell volume: 2626.63 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No