Information card for entry 1516537

Structure parameters

• Formula: C40 H60 Cr4 P4
• Calculated formula: C40 H60 Cr4 P4
• SMILES: [Cr]123456(P7[Cr]89%10%11%12(P2[Cr]2%13%14%15%16(P1[Cr]1%17%18%197(P82)[c]2([c]1([c]%17([c]%18([c]%192C)C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)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: 11.9954 ± 0.0001 Å
• b: 11.9954 ± 0.0001 Å
• c: 13.9537 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007.79 ± 0.05 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No