Information card for entry 1512425

Structure parameters

• Formula: C17 H25 Mo N4 O6 P
• Calculated formula: C17 H25 Mo N4 O6 P
• SMILES: [Mo]1([P](OC)(OC)OC)(C#[O])(C#[O])(C#[O])=C2N(C=CN2CCCN2C=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: 9.633 ± 0.007 Å
• b: 14.182 ± 0.009 Å
• c: 15.5 ± 0.014 Å
• α: 90°
• β: 96.52 ± 0.07°
• γ: 90°
• Cell volume: 2104 ± 3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No