Information card for entry 4345189

Structure parameters

• Formula: C61 H85 Cl5 Co2 Cr2 N14 O20
• Calculated formula: C61 H85 Cl5 Co2 Cr2 N14 O20
• Title of publication: Effect of a κ(1)-Bonded-M-1,2,3-triazole (M = Co, Ru) on the Structure and Reactivity of Group 6 Alkoxy (Fischer) Carbenes.
• Authors of publication: Giner, Elena A.; Gómez-Gallego, Mar; Casarrubios, Luis; de la Torre, María C; Ramírez de Arellano, Carmen; Sierra, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2801 - 2811
• a: 12.3579 ± 0.0004 Å
• b: 36.6595 ± 0.0015 Å
• c: 17.992 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8151 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2332
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2749
• Weighted residual factors for all reflections included in the refinement: 0.3769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No