Information card for entry 4343897

Structure parameters

• Common name: 13091
• Formula: C43 H68 Cr2 K N4 O P3
• Calculated formula: C43 H68 Cr2 K N4 O P3
• SMILES: [K+].[Cr]1234[Cr]56[P](CN2c2c([N]1(c1ccccc1N3C[P]5(C(C)C)C(C)C)c1ccccc1N4C[P]6(C(C)C)C(C)C)cccc2)(C(C)C)C(C)C.C1CCCO1
• Title of publication: Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.
• Authors of publication: Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7579 - 7592
• a: 12.9903 ± 0.0019 Å
• b: 27.035 ± 0.004 Å
• c: 14.055 ± 0.002 Å
• α: 90°
• β: 93.906 ± 0.002°
• γ: 90°
• Cell volume: 4924.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No