Information card for entry 7701579

Structure parameters

• Formula: C107 H56 N18 O18 Re6 S6
• Calculated formula: C107 H56 N18 O18 Re6 S6
• Title of publication: Toward a dodecanuclear molecular Re(i) box: structural and spectroscopic properties.
• Authors of publication: Tzeng, Biing-Chiau; Hsiao, Yu-Jen; Lee, Gene-Hsiang; Wang, Hai-Ying; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7946 - 7952
• a: 35.076 ± 0.0012 Å
• b: 18.4128 ± 0.0006 Å
• c: 24.6774 ± 0.0015 Å
• α: 90°
• β: 133.676 ± 0.0007°
• γ: 90°
• Cell volume: 11527 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No