Information card for entry 1515817

Structure parameters

• Formula: C12 H18 As5 Cl3 Cu3 Fe N
• Calculated formula: C12 H18 As5 Cl3 Cu3 Fe N
• Title of publication: The potential of a cyclo-As5 ligand complex in coordination chemistry
• Authors of publication: Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 337
• a: 11.66 ± 0.003 Å
• b: 21.626 ± 0.006 Å
• c: 8.49 ± 0.002 Å
• α: 90°
• β: 90 ± 0.02°
• γ: 90°
• Cell volume: 2140.8 ± 1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No