Information card for entry 7126016

Structure parameters

• Formula: C18 H16 N5 O2
• Calculated formula: C18 H16 N5 O2
• Title of publication: A bis-vanadyl coordination complex as a 2-qubit quantum gate.
• Authors of publication: Borilovic, Ivana; Alonso, Pablo J.; Roubeau, Olivier; Aromí, Guillem
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3139 - 3142
• a: 28.46 ± 0.007 Å
• b: 4.932 ± 0.0011 Å
• c: 24.318 ± 0.006 Å
• α: 90°
• β: 112.81 ± 0.009°
• γ: 90°
• Cell volume: 3146.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No