Information card for entry 1548046

Structure parameters

• Formula: C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72
• Calculated formula: C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72
• 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: 56.308 ± 0.003 Å
• b: 16.4647 ± 0.0003 Å
• c: 30.7417 ± 0.0009 Å
• α: 90°
• β: 93.238 ± 0.003°
• γ: 90°
• Cell volume: 28455 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.3574
• Weighted residual factors for all reflections included in the refinement: 0.422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No