Information card for entry 4303707

Structure parameters

• Formula: C24 H18 N4 O4 W
• Calculated formula: C24 H18 N4 O4 W
• SMILES: [W]1([n]2c3nc(C)cc(C)c3ccc2N2C=1N(C=C2)Cc1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Multifaceted Coordination of Naphthyridine-Functionalized N-Heterocyclic Carbene: A Novel "IrIII(C^N)(C^C)" Compound and Its Evaluation as Transfer Hydrogenation Catalyst
• Authors of publication: Arup Sinha; S. M. Wahidur Rahaman; Mithun Sarkar; Biswajit Saha; Prosenjit Daw; Jitendra K. Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11114 - 11122
• a: 8.0628 ± 0.0013 Å
• b: 10.2021 ± 0.0016 Å
• c: 14.552 ± 0.002 Å
• α: 104.785 ± 0.002°
• β: 91.721 ± 0.002°
• γ: 108.532 ± 0.002°
• Cell volume: 1089.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No