Information card for entry 4316249

Structure parameters

• Chemical name: hexakis(μ~3~-5,6-Dimethyl-benzotriazolato)- tetrakis(chloro-zinc(II))-cobalt(II) dimethylformamide solvate
• Formula: C60 H58 Br2 Cl4 Co N18 Zn4
• Calculated formula: C60 H57.96 Br2.04 Cl4 Co N18 Zn4
• Title of publication: Syntheses and Magnetostructural Investigations on Kuratowski-Type Homo- and Heteropentanuclear Coordination Compounds [MZn4Cl4(L)6] (MII= Zn, Fe, Co, Ni, or Cu; L = 5,6-Dimethyl-1,2,3-benzotriazolate) Represented by the Nonplanar K3,3 Graph
• Authors of publication: Shyam Biswas; Markus Tonigold; Manfred Speldrich; Paul Kögerler; Matthias Weil; Dirk Volkmer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7424 - 7434
• a: 23.737 ± 0.003 Å
• b: 23.737 ± 0.003 Å
• c: 23.737 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13374 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No