Information card for entry 1548042

Structure parameters

• Formula: C45 H69 Co N3 O13 Ru2
• Calculated formula: C45 H69 Co0.9999 N3 O13 Ru2.0001
• Title of publication: A modular design of molecular qubits to implement universal quantum gates
• Authors of publication: Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11377
• a: 22.3181 ± 0.0005 Å
• b: 23.1069 ± 0.0004 Å
• c: 22.5654 ± 0.0006 Å
• α: 90°
• β: 112.263 ± 0.003°
• γ: 90°
• Cell volume: 10769.5 ± 0.5 ų
• Cell temperature: 150.06 ± 0.14 K
• Ambient diffraction temperature: 150.06 ± 0.14 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: 0.0725
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No