Information card for entry 1518982

Structure parameters

• Formula: C52 H80 Cr2 N4 O2 P4
• Calculated formula: C52 H80 Cr2 N4 O2 P4
• SMILES: [Cr]12345[Cr]678([P](C(C)C)(CN4c4c([O]3c3c(N5C[P]6(C(C)C)C(C)C)cccc3)cccc4)C(C)C)[O](c3c(N7C[P]1(C(C)C)C(C)C)cccc3)c1c(N8C[P]2(C(C)C)C(C)C)cccc1
• Title of publication: Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel
• Authors of publication: Reed J. Eisenhart; Rebecca K. Carlson; Kelsey M. Boyle; Laura Gagliardi; Connie C. Lu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 336 - 344
• a: 21.9852 ± 0.0014 Å
• b: 10.9414 ± 0.0007 Å
• c: 22.4321 ± 0.0015 Å
• α: 90°
• β: 109.949 ± 0.001°
• γ: 90°
• Cell volume: 5072.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No