Information card for entry 7039148

Structure parameters

• Common name: Re-L0
• Formula: C23 H30 Cl N2 O9 P2 Re
• Calculated formula: C23 H30 Cl N2 O9 P2 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2c(c3cc(cc[n]13)CP(=O)(OCC)OCC)cc(cc2)CP(=O)(OCC)OCC)Cl
• Title of publication: Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.
• Authors of publication: Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9216 - 9228
• a: 11.5189 ± 0.0008 Å
• b: 12.2876 ± 0.0008 Å
• c: 12.3796 ± 0.0008 Å
• α: 60.874 ± 0.007°
• β: 71.142 ± 0.007°
• γ: 72.476 ± 0.006°
• Cell volume: 1426.4 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No