Information card for entry 4350496

Structure parameters

• Formula: C47 H62 B Cl Fe N6 O0.5 S3
• Calculated formula: C47 H62 B Cl Fe N6 O0.5 S3
• 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: 9.877 ± 0.001 Å
• b: 13.615 ± 0.002 Å
• c: 18.34 ± 0.002 Å
• α: 95.185 ± 0.003°
• β: 95.765 ± 0.001°
• γ: 97.082 ± 0.001°
• Cell volume: 2421.9 ± 0.5 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.523
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No