Information card for entry 4331276

Structure parameters

• Formula: C9 H14 Mo N6 O5
• Calculated formula: C9 H14 Mo N6 O5
• SMILES: [Mo]12(=O)(=O)ON(c3nc(nc(N(O1)C)[n]23)N1CCOCC1)C
• Title of publication: Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H2bihyat. Water-Assisted Activation of the MoVI=O Bond and Reversible Dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O4(bihyat)2(H2O)2]
• Authors of publication: Marios Stylianou; Vladimiros A. Nikolakis; George I. Chilas; Tamas Jakusch; Tiverios Vaimakis; Tamas Kiss; Michael P. Sigalas; Anastasios D. Keramidas; Themistoklis A. Kabanos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13138 - 13147
• a: 18.483 ± 0.0008 Å
• b: 9.9708 ± 0.0004 Å
• c: 14.7921 ± 0.0007 Å
• α: 90°
• β: 106.085 ± 0.005°
• γ: 90°
• Cell volume: 2619.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No