Information card for entry 4346566

Structure parameters

• Formula: C45 H40 B N6 O5 Re
• Calculated formula: C45 H40 B N6 O5 Re
• SMILES: C1c2cccc[n]2[Re]2(C#[O])(C#[O])(C#[O])[n]3c(C[N]12CCCn1ccnc1N(=O)=O)cccc3.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.
• Authors of publication: North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9594 - 9610
• a: 9.687 ± 0.0003 Å
• b: 11.9283 ± 0.0003 Å
• c: 17.5604 ± 0.0005 Å
• α: 82.24 ± 0.002°
• β: 78.321 ± 0.002°
• γ: 83.106 ± 0.002°
• Cell volume: 1959.88 ± 0.1 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0284
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No