Information card for entry 4312075

Structure parameters

• Formula: C29 H38 Cl N3 Ni O
• Calculated formula: C29 H38 Cl N3 Ni O
• SMILES: [Ni]123(Cl)Oc4c(C[N]2(Cc2[n]1c(C)ccc2)Cc1[n]3c(ccc1)C)cc(cc4C(C)(C)C)C(C)(C)C
• Title of publication: Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship
• Authors of publication: Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7816 - 7822
• a: 10.7377 ± 0.0003 Å
• b: 15.1861 ± 0.0003 Å
• c: 35.4669 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5783.4 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No