Information card for entry 1502693

Structure parameters

• Formula: C27 H33 F6 N3 O13 P Ru3
• Calculated formula: C27 H33 F6 N3 O13 P Ru3
• SMILES: C1(C)=[O][Ru]234([n]5ccccc5)[O]5[Ru]6([n]7ccccc7)(O1)([O]=C(C)O2)OC(C)=[O][Ru]5([n]1ccccc1)(OC(C)=[O]6)([O]=C(C)O3)OC(C)=[O]4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Electronic structural effects in self-exchange reactions.
• Authors of publication: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 45
• Pages of publication: 14729 - 14734
• a: 21.33 ± 0.002 Å
• b: 7.7725 ± 0.0008 Å
• c: 22.864 ± 0.002 Å
• α: 90°
• β: 100.666 ± 0.002°
• γ: 90°
• Cell volume: 3725.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No