Information card for entry 4312074

Structure parameters

• Formula: C28 H36 Cl N3 Ni O
• Calculated formula: C28 H36 Cl N3 Ni O
• 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: 10.475 ± 0.004 Å
• b: 18.482 ± 0.006 Å
• c: 13.785 ± 0.006 Å
• α: 90°
• β: 100.06 ± 0.01°
• γ: 90°
• Cell volume: 2627.7 ± 1.7 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No