Information card for entry 1516538

Structure parameters

• Formula: C30 H45 As2 Cr3
• Calculated formula: C30 H45 As2 Cr3
• SMILES: [As]12[Cr]3456([As]([Cr]789%101[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)[Cr]17892[c]2([c]1([c]7([c]8([c]92C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide
• Authors of publication: Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2443
• a: 15.3898 ± 0.0003 Å
• b: 18.4053 ± 0.0003 Å
• c: 21.8004 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6175.05 ± 0.19 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No