Information card for entry 7241311

Structure parameters

• Formula: C40 H29 N4 O7 Re2
• Calculated formula: C37 H22 N4 O7 Re2
• Title of publication: Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands
• Authors of publication: Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 20.7375 ± 0.0011 Å
• b: 13.4812 ± 0.0007 Å
• c: 25.4131 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7104.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No