Information card for entry 1518496

Structure parameters

• Formula: C34 H58 As4 Co2
• Calculated formula: C34 H58 As4 Co2
• SMILES: [As]12[As]3[Co]456781([As]1[As]4[Co]49%10%11231[c]1([cH]4[c]9([c]%10([cH]%111)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]5[c]6([c]7([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of arsenic-rich Asnligand complexes from yellow arsenic
• Authors of publication: Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1379
• a: 8.4386 ± 0.0001 Å
• b: 13.7676 ± 0.0001 Å
• c: 16.0276 ± 0.0001 Å
• α: 90°
• β: 100.27 ± 0.001°
• γ: 90°
• Cell volume: 1832.24 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No