Information card for entry 7057537

Structure parameters

• Formula: C34 H40 N14 O4 Re6 S8
• Calculated formula: C34 H40 N14 O4 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: 10.2728 ± 0.0004 Å
• b: 11.2485 ± 0.0004 Å
• c: 12.1798 ± 0.0005 Å
• α: 104.23 ± 0.002°
• β: 107.332 ± 0.002°
• γ: 107.185 ± 0.002°
• Cell volume: 1194.45 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0625
• 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