Information card for entry 7701580

Structure parameters

• Formula: C178 H156 N44 O48 Re12 S24
• Calculated formula: C178 H156 N44 O48 Re12 S24
• 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: 14.6619 ± 0.0006 Å
• b: 19.3037 ± 0.0008 Å
• c: 22.8014 ± 0.0009 Å
• α: 114.181 ± 0.001°
• β: 101.722 ± 0.0011°
• γ: 93.2007 ± 0.0012°
• Cell volume: 5694.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No