Information card for entry 4086597

Structure parameters

• Formula: C29 H36 Mo2 N2 O8
• Calculated formula: C29 H36 Mo2 N2 O8
• SMILES: [Mo]1234([Mo]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)OC(=[O]4)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes
• Authors of publication: Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2494
• a: 8.4 ± 0.0002 Å
• b: 17.3732 ± 0.0004 Å
• c: 21.3704 ± 0.0004 Å
• α: 84.852 ± 0.002°
• β: 87.66 ± 0.002°
• γ: 76.24 ± 0.002°
• Cell volume: 3016.35 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No