Information card for entry 4086043

Structure parameters

• Formula: C15 H22 Mo N2 O4
• Calculated formula: C15 H22 Mo N2 O4
• SMILES: C(#[O])[Mo]1(C#[O])([N]2(C[N]31CCCCC3)CCCCC2)(C#[O])C#[O]
• Title of publication: Syntheses and Structures of [CH2(NCnH2n)2]Mo(CO)4(n= 4,5) Complexes with Bis(cycloamine) Ligands Easily Prepared from CH2Cl2
• Authors of publication: Kyran, Samuel J.; Sanchez, Sergio G.; Arp, Christopher J.; Darensbourg, Donald J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3598
• a: 13.267 ± 0.006 Å
• b: 16.237 ± 0.008 Å
• c: 7.83 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1686.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No