Information card for entry 7004838

Structure parameters

• Formula: C31 H32 N4 O P Re S4
• Calculated formula: C31 H32 N4 O P Re S4
• SMILES: [Re]12(N=NC(=O)c3ccccc3)([S]=C(S1)N(C)C)(SC(=[S]2)N(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.1725 ± 0.0004 Å
• b: 10.597 ± 0.0003 Å
• c: 18.8348 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3227.91 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No