Information card for entry 7712092

Structure parameters

• Formula: C15 H12 Cl2 N2 O8 Re2
• Calculated formula: C15 H12 Cl2 N2 O8 Re2
• SMILES: c1c(cc[n]2[n]1[Re]1(C#[O])(C#[O])(C#[O])[Cl][Re]2(C#[O])(C#[O])(C#[O])[Cl]1)CCCCC(=O)O
• Title of publication: Replacement of the phosphodiester backbone between canonical nucleosides with a dirhenium carbonyl "click" linker-a new class of luminescent organometallic dinucleoside phosphate mimics.
• Authors of publication: Skiba, Joanna; Kowalczyk, Aleksandra; Gorski, Aleksander; Dutkiewicz, Natalia; Gapińska, Magdalena; Stróżek, Józef; Woźniak, Krzysztof; Trzybiński, Damian; Kowalski, Konrad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1551 - 1567
• a: 9.8252 ± 0.0004 Å
• b: 21.1777 ± 0.0007 Å
• c: 10.3389 ± 0.0004 Å
• α: 90°
• β: 107.937 ± 0.005°
• γ: 90°
• Cell volume: 2046.71 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No