Information card for entry 4306952

Structure parameters

• Formula: C26 H47 Mo N5 O S6
• Calculated formula: C26 H47 Mo N5 O S6
• SMILES: [Mo]123([S]=C(S1)N(CC)CC)(SC(=[S]2)N(CC)CC)([S]=C(S3)N(CC)CC)N=Nc1ccc(cc1)C.CCOCC
• Title of publication: Iron‒Molybdenum Charge-Transfer Hybrids Containing Organometallic and Inorganic Fragments Bridged by Aryldiazenido Ligands in a μ-η6:η1 Coordination Mode: Syntheses, Characterization, X-ray Structures, Electrochemistry, and Theoretical Investigation
• Authors of publication: Manzur, Carolina; Millán, Lorena; Fuentealba, Mauricio; Hamon, Jean-René; Toupet, Loïc; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1123 - 1134
• a: 10.5071 ± 0.0007 Å
• b: 13.0548 ± 0.0007 Å
• c: 13.1799 ± 0.0009 Å
• α: 85.927 ± 0.005°
• β: 85.955 ± 0.004°
• γ: 75.668 ± 0.004°
• Cell volume: 1744.55 ± 0.19 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 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: 0.1015
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No