Information card for entry 1512422

Structure parameters

• Formula: C20 H18 Mo N4 O4
• Calculated formula: C20 H18 Mo N4 O4
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])(C#[O])=C2N(C=CN2Cc2ccccc2CN2C=1N(C=C2)C)C
• 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: 13.9 ± 0.005 Å
• b: 9.108 ± 0.004 Å
• c: 16.917 ± 0.004 Å
• α: 90°
• β: 109.52 ± 0.02°
• γ: 90°
• Cell volume: 2018.6 ± 1.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No