Information card for entry 1512423

Structure parameters

• Formula: C24 H26 Mo N4 O4
• Calculated formula: C24 H26 Mo N4 O4
• SMILES: [Mo]1(C#[O])(C#[O])(=C2N(C=CN2Cc2ccccc2CN2C=1N(C=C2)C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Twisted coordination mode of bis(N-heterocyclic carbene) ligands in octahedral geometry of group 6 transition metal complexes: Synthesis, structure, and reactivity
• Authors of publication: Kenichi Ogataa; Yoshitaka Yamaguchia; Youji Kuriharaa; Kazuyoshi Uedaa; Hirotaka Nagaob; Takashi Ito
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 199 - 209
• a: 16.59 ± 0.009 Å
• b: 12.579 ± 0.007 Å
• c: 12.574 ± 0.009 Å
• α: 90°
• β: 114.94 ± 0.04°
• γ: 90°
• Cell volume: 2379 ± 3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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 significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No