Information card for entry 4086148

Structure parameters

• Formula: C28 H48 Mo N12
• Calculated formula: C28 H48 Mo N12
• SMILES: C1(N(C(=C(C)N1C)C)C)=[Mo]([N]#N)([N]#N)(=C1N(C(=C(C)N1C)C)C)(=C1N(C(=C(C)N1C)C)C)=C1N(C(=C(C)N1C)C)C
• Title of publication: Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)
• Authors of publication: Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3414
• a: 12.113 ± 0.006 Å
• b: 12.113 ± 0.006 Å
• c: 11.029 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.2 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No