Information card for entry 1551724

Structure parameters

• Formula: C66 H82 B2 N6 Ni O6
• Calculated formula: C66 H82 B2 N6 Ni O6
• SMILES: [Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group
• Authors of publication: YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 71
• a: 30.2714 ± 0.0005 Å
• b: 9.26438 ± 0.0001 Å
• c: 22.0462 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6182.76 ± 0.17 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No