Information card for entry 7055749

Structure parameters

• Formula: C16 H18 N3 O Rh
• Calculated formula: C16 H18 N3 O Rh
• SMILES: [Rh]1234([n]5n(ccc5)C(=O)c5n1ccc5)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: [NO]- and [NN]-coordination mode rhodium complexes based on a flexible ligand: synthesis, reactivity and catalytic activity
• Authors of publication: Yao, Zi-Jian; Li, Kuan; Zhang, Jian-Yong; Deng, Wei
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 8753
• a: 10.9656 ± 0.0005 Å
• b: 10.4739 ± 0.0005 Å
• c: 13.1256 ± 0.0006 Å
• α: 90°
• β: 113.987 ± 0.0006°
• γ: 90°
• Cell volume: 1377.32 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No