Information card for entry 7706494

Structure parameters

• Chemical name: Re(Sn[PhC(NtBu)2])(η5-Cp)(BDI)
• Formula: C211 H312 N16 Re4 Sn4
• Calculated formula: C211 H312 N16 Re4 Sn4
• Title of publication: σ or π? Bonding interactions in a series of rhenium metallotetrylenes.
• Authors of publication: Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2083 - 2092
• a: 11.8518 ± 0.0005 Å
• b: 19.556 ± 0.0009 Å
• c: 23.6281 ± 0.0011 Å
• α: 65.925 ± 0.002°
• β: 78.503 ± 0.002°
• γ: 88.7 ± 0.002°
• Cell volume: 4889.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No