Information card for entry 7011528

Structure parameters

• Formula: C26 H56 Cr2 N26 Ni3 S12
• Calculated formula: C26 H56 Cr2 N26 Ni3 S12
• Title of publication: Magnetostructural characterisation of the first bimetallic assemblies derived from the anionic building block [Cr(NCS)6]3‒ [M(en)3]n[{M(en)2-µ-SCN-Cr(NCS)4-µ-NCS}2n] with M = Ni(ii), Zn(ii)Non-SI units employed: µB ≈ 9.274 \τimes 10‒24 J T‒1.
• Authors of publication: Wrzeszcz, Grzegorz; Dobrzańska, Liliana; Wojtczak, Andrzej; Grodzicki, Antoni
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2862
• a: 28.33 ± 0.003 Å
• b: 14.256 ± 0.001 Å
• c: 16.013 ± 0.001 Å
• α: 90°
• β: 117.26 ± 0.01°
• γ: 90°
• Cell volume: 5748.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No