Information card for entry 1505725

Structure parameters

• Formula: C29 H29 F18 N4 Ni1.5 O11
• Calculated formula: C29 H29 F18 N4 Ni1.5 O11
• Title of publication: Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment.
• Authors of publication: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 5
• Pages of publication: 2102 - 2107
• a: 8.7852 ± 0.0001 Å
• b: 14.581 ± 0.0001 Å
• c: 17.7406 ± 0.0005 Å
• α: 73.052 ± 0.007°
• β: 86.854 ± 0.009°
• γ: 69.249 ± 0.007°
• Cell volume: 2029.83 ± 0.14 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No