Information card for entry 1548050

Structure parameters

• Formula: C97 H161 Cr7.04 F8 N4 Ni0.96 O32
• Calculated formula: C97 H161 Cr7.04 F8 N4 Ni0.96 O32
• 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: 16.7978 ± 0.0004 Å
• b: 31.2594 ± 0.0011 Å
• c: 24.9128 ± 0.0009 Å
• α: 90°
• β: 103.209 ± 0.003°
• γ: 90°
• Cell volume: 12735.3 ± 0.7 ų
• Cell temperature: 150.06 ± 0.14 K
• Ambient diffraction temperature: 150.06 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No