Information card for entry 7706747

Structure parameters

• Formula: C100 H165 Cr7 F8 N Ni O32 P
• Calculated formula: C100 H165 Cr7 F8 N Ni O32 P
• 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: 47.1357 ± 0.0015 Å
• b: 16.5185 ± 0.0005 Å
• c: 33.9008 ± 0.0008 Å
• α: 90°
• β: 92.227 ± 0.003°
• γ: 90°
• Cell volume: 26375.6 ± 1.3 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.208
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No