Information card for entry 7220771

Structure parameters

• Formula: C24 H22 Cl5 O P Re
• Calculated formula: C24 H20 Cl5 O P Re
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Re](Cl)([OH2])(Cl)(Cl)Cl
• Title of publication: Aquapentachlororhenate(IV): a singular and promising building block for metal assembling
• Authors of publication: Martinez-Lillo, Jose; Armentano, Donatella
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.3512 ± 0.0011 Å
• b: 13.3512 ± 0.0011 Å
• c: 7.2677 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No