Information card for entry 4120718

Structure parameters

• Common name: CoCrL neutral
• Formula: C39 H60 Co Cr N4 P3
• Calculated formula: C39 H60 Co Cr N4 P3
• SMILES: [Co]123[Cr]456N(C[P]1(C(C)C)C(C)C)c1c([N]4(c4c(N5C[P]2(C(C)C)C(C)C)cccc4)c2ccccc2N6C[P]3(C(C)C)C(C)C)cccc1
• Title of publication: Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes
• Authors of publication: Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13142 - 13148
• a: 12.3712 ± 0.0019 Å
• b: 19.416 ± 0.003 Å
• c: 19.653 ± 0.003 Å
• α: 113.252 ± 0.002°
• β: 95.561 ± 0.002°
• γ: 101.549 ± 0.002°
• Cell volume: 4167.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No