Information card for entry 4344974

Structure parameters

• Formula: C84 H106 B2 N4 O10 Zn2
• Calculated formula: C84 H106 B2 N4 O10 Zn2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1[OH][Zn]2345[N](C)(Cc6cc(cc7c6[O]2[Zn]268([N](C7)(C)CC[OH]2)[N](Cc2cc(cc(C[N]4(CC[OH]3)C)c2[O]56)C)(C)CC[OH]8)C)C1.O=C(C)C.O.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C.O
• Title of publication: Magnetic Properties of a Dinuclear Nickel(II) Complex with 2,6-Bis[(2-hydroxyethyl)methylaminomethyl]-4-methylphenolate.
• Authors of publication: Sakiyama, Hiroshi; Chiba, Yukako; Tone, Katsuya; Yamasaki, Mikio; Mikuriya, Masahiro; Krzystek, J.; Ozarowski, Andrew
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• a: 22.8866 ± 0.0005 Å
• b: 19.2321 ± 0.0004 Å
• c: 17.2553 ± 0.0004 Å
• α: 90°
• β: 95.991 ± 0.007°
• γ: 90°
• Cell volume: 7553.6 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No