Information card for entry 7057534

Structure parameters

• Formula: C22 H32 N14 Re6 S8
• Calculated formula: C22 H32 N14 Re6 S8
• Title of publication: Hydrogen bonded networks based on hexarhenium(iii) chalcocyanide cluster complexes: structural and photophysical characterization
• Authors of publication: Ledneva, Alexandra; Ferlay, Sylvie; Naumov, Nikolay G.; Mauro, Matteo; Cordier, Stéphane; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11888
• a: 10.746 ± 0.0003 Å
• b: 17.8776 ± 0.0006 Å
• c: 11.2185 ± 0.0004 Å
• α: 90°
• β: 116.733 ± 0.001°
• γ: 90°
• Cell volume: 1924.85 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0178
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No