Information card for entry 7706748

Structure parameters

• Formula: C302 H499 Au Cl5 Cr21 F24 N3 Ni3 O96 P3
• Calculated formula: C302 H499 Au Cl5 Cr21 F24 N3 Ni3 O96 P3
• Title of publication: Gold(i) bridged dimeric and trimeric heterometallic {Cr₇Ni}-based qubit systems and their characterization.
• Authors of publication: Asthana, Deepak; Lockyer, Selena J.; Nawaz, Selina; Woolfson, Robert J.; Timco, Grigore A.; Muryn, Christopher A.; Vitorica-Yrezabal, Iñigo J; Collison, David; Burton, Neil A.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4390 - 4395
• a: 16.3361 ± 0.0003 Å
• b: 34.1374 ± 0.0004 Å
• c: 41.1846 ± 0.0004 Å
• α: 104.854 ± 0.001°
• β: 96.876 ± 0.001°
• γ: 102.777 ± 0.001°
• Cell volume: 21267.7 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No