Information card for entry 4129376

Structure parameters

• Formula: C39 H60 Co2 N4 P3
• Calculated formula: C39 H60 Co2 N4 P3
• SMILES: [Co]1234[Co]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
• Title of publication: Catalytic silylation of dinitrogen with a dicobalt complex.
• Authors of publication: Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 14
• Pages of publication: 4638 - 4641
• a: 24.6 ± 0.002 Å
• b: 14.0091 ± 0.0013 Å
• c: 12.6805 ± 0.0012 Å
• α: 90°
• β: 97.223 ± 0.001°
• γ: 90°
• Cell volume: 4335.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No