Information card for entry 4350511

Structure parameters

• Formula: C14 H24 Cl2 N4 Ni S2
• Calculated formula: C14 H24 Cl2 N4 Ni S2
• SMILES: CC(C)(C)N1C(NC=C1)=[S][Ni](Cl)([S]=C1NC=CN1C(C)(C)C)Cl
• Title of publication: Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.
• Authors of publication: Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9914 - 9925
• a: 16.7566 ± 0.0111 Å
• b: 8.5754 ± 0.0052 Å
• c: 16.698 ± 0.0113 Å
• α: 90°
• β: 125.169 ± 0.006°
• γ: 90°
• Cell volume: 1961 ± 2 ų
• Cell temperature: 173.2 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: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No