Information card for entry 4112476

Structure parameters

• Common name: (1-AdNC)2Mo(N[iPr]Ar)3
• Formula: C60 H90 Mo N5
• Calculated formula: C60 H90 Mo N5
• SMILES: [Mo](N(c1cc(cc(c1)C)C)C(C)C)(N(c1cc(cc(c1)C)C)C(C)C)(N(c1cc(cc(c1)C)C)C(C)C)(C#[N]C12CC3CC(C2)CC(C1)C3)C#[N]C12CC3CC(C2)CC(C1)C3.CCCCC
• Title of publication: Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand
• Authors of publication: Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5253 - 5267
• a: 10.6383 ± 0.0011 Å
• b: 10.934 ± 0.0011 Å
• c: 24.98 ± 0.003 Å
• α: 91.598 ± 0.002°
• β: 101.624 ± 0.002°
• γ: 101.257 ± 0.002°
• Cell volume: 2784.5 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No