Information card for entry 7024821

Structure parameters

• Formula: C18 H10 Mo2 N2 O8
• Calculated formula: C18 H10 Mo2 N2 O8
• SMILES: C(#[O])[Mo]123(C#[O])(C#[O])[C@H]4[O]3[Mo]3(C#[O])(C#[O])(C#[O])([C@H]([O]23)c2[n]1cccc2)[n]1ccccc41
• Title of publication: Unexpected chemoselectivity in the Schiff condensation of amines with eta(2)(C,O)- eta(1)(O)-coordinated aldehyde.
• Authors of publication: Alvarez, Celedonio M.; García-Rodríguez, Raúl; Martín-Alvarez, Jose M; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1201 - 1203
• a: 8.151 ± 0.004 Å
• b: 9.078 ± 0.005 Å
• c: 12.908 ± 0.007 Å
• α: 90°
• β: 92.576 ± 0.01°
• γ: 90°
• Cell volume: 954.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No