Information card for entry 7700620

Structure parameters

• Formula: C41 H100 Br9 N5 Re12 S14
• Calculated formula: C Br9 Re12 S14
• Title of publication: Luminescent twelve-nuclear rhenium clusters.
• Authors of publication: Gayfulin, Yakov M.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Samsonenko, Denis G.; Kitamura, Noboru; Mironov, Yuri V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12522 - 12530
• a: 11.9994 ± 0.0007 Å
• b: 11.9994 ± 0.0007 Å
• c: 17.3402 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2162.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No