Information card for entry 7004840

Structure parameters

• Formula: C43 H40 Cl6 N4 O P Re S4
• Calculated formula: C43 H40 Cl6 N4 O P Re S4
• SMILES: [Re]12(N=Nc3ccc(cc3)OC)([S]=C(S1)N(C)c1ccccc1)(SC(=[S]2)N(C)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Rhenium diazenide ternary complexes with dithiocarbamate ligands: towards new rhenium radiopharmaceuticals.
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Ross, Susan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 73 - 82
• a: 13.71 ± 0.0002 Å
• b: 17.5722 ± 0.0002 Å
• c: 20.1587 ± 0.0003 Å
• α: 90°
• β: 93.2214 ± 0.0008°
• γ: 90°
• Cell volume: 4848.86 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0473
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No