Information card for entry 1551937

Structure parameters

• Formula: C38 H38 N2 O2 Rh2
• Calculated formula: C38 H38 N2 O2 Rh2
• SMILES: [Rh]1234(Oc5c(C=[N]1[C@@H](c1ccccc1)C)cc1O[Rh]678([N]([C@@H](c9ccccc9)C)=Cc1c5)[CH]1=[CH]7C5[CH]6=[CH]8C1C5)[CH]1C5[CH]3=[CH]2C([CH]4=1)C5
• Title of publication: Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages
• Authors of publication: Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 4163
• a: 12.96 ± 0.003 Å
• b: 9.9 ± 0.002 Å
• c: 13.1 ± 0.003 Å
• α: 90°
• β: 109.53 ± 0.03°
• γ: 90°
• Cell volume: 1584.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No