Information card for entry 1518500

Structure parameters

• Formula: C51 H87 As12 Co3
• Calculated formula: C51 H87 As12 Co3
• SMILES: [cH]12[c]3([cH]4[c]5([c]1(C(C)(C)C)[Co]1672345[As]23[Co]4589%10([cH]%11[c]4([cH]5[c]8([c]9%11C(C)(C)C)C(C)(C)C)C(C)(C)C)[As]12[As]7[As]([As]63)[As]1%10[As]2[As]3[Co]456789([cH]%10[c]4([cH]5[c]6([c]7%10C(C)(C)C)C(C)(C)C)C(C)(C)C)[As]3[As]1[As]8[As]29)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: 28.9202 ± 0.0003 Å
• b: 15.7899 ± 0.0001 Å
• c: 29.9375 ± 0.0003 Å
• α: 90°
• β: 112.752 ± 0.001°
• γ: 90°
• Cell volume: 12607.1 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No