Information card for entry 4308439

Structure parameters

• Formula: C36.75 H54.5 B Cl0.5 Co F5 N6 S
• Calculated formula: C36.75 B Cl0.5 Co F5 N6 S
• Title of publication: Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+
• Authors of publication: Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 325 - 335
• a: 9.378 ± 0.003 Å
• b: 16.873 ± 0.006 Å
• c: 27.892 ± 0.01 Å
• α: 80.852 ± 0.008°
• β: 79.621 ± 0.009°
• γ: 79.401 ± 0.01°
• Cell volume: 4231 ± 3 ų
• Cell temperature: 184.1 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: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 3.92
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No