Information card for entry 7007517

Structure parameters

• Formula: C31 H29 Fe2 O5 P S2 Si
• Calculated formula: C31 H29 Fe2 O5 P S2 Si
• SMILES: [Fe]12([Fe]3([S]1CCC[S]23)(C#[O])(C#[O])C#[O])([P](c1ccc(cc1)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Bio-inspired, side-on attachment of a ruthenium photosensitizer to an iron hydrogenase active site model.
• Authors of publication: Ekström, Jesper; Abrahamsson, Maria; Olson, Carol; Bergquist, Jonas; Kaynak, Filiz B.; Eriksson, Lars; Sun, Licheng; Becker, Hans-Christian; Akermark, Björn; Hammarström, Leif; Ott, Sascha
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 38
• Pages of publication: 4599 - 4606
• a: 13.001 ± 0.013 Å
• b: 8.539 ± 0.005 Å
• c: 14.994 ± 0.01 Å
• α: 90.09 ± 0.05°
• β: 92.35 ± 0.07°
• γ: 90.09 ± 0.06°
• Cell volume: 1663 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2356
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.3295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No