Information card for entry 4129377

Structure parameters

• Formula: C57 H96 Co2 K N8 O6 P3
• Calculated formula: C57 H96 Co2 K N8 O6 P3
• SMILES: [Co]123([Co]456[N](c7ccccc7N4C[P]1(C(C)C)C(C)C)(c1ccccc1N5C[P]2(C(C)C)C(C)C)c1ccccc1N6C[P]3(C(C)C)C(C)C)[N]#N.[N]123CC[O]4CC[O]5CC[N]67CC[O]8CC[O](CC1)[K]134578[O](CC2)CC[O]1CC6
• 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: 21.5306 ± 0.0017 Å
• b: 19.8037 ± 0.0015 Å
• c: 31.964 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13629 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No