Information card for entry 4086044

Structure parameters

• Formula: C13 H17 Mo N2 O4
• Calculated formula: C13 H18 Mo N2 O4
• SMILES: [Mo]1([N]2(CCCC2)C[N]21CCCC2)(C#[O])(C#[O])(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: 31.66 ± 0.03 Å
• b: 7.654 ± 0.007 Å
• c: 12.359 ± 0.011 Å
• α: 90°
• β: 94.826 ± 0.011°
• γ: 90°
• Cell volume: 2984 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No