Information card for entry 7227496

Structure parameters

• Formula: C38 H29 Cl4 N4 O6 Re
• Calculated formula: C38 H29 Cl4 N4 O6 Re
• SMILES: [Re]1(Cl)([n]2ccc(cc2c2[n]1ccc(c2)C(=O)Oc1cc2c(cc1)ccc1OC3(N(c4c(C3(C)C)cccc4)C)C=Nc21)C)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Few-layer TiO2‒B nanosheets with N-doped graphene nanosheets as a highly robust anode for lithium-ion batteries
• Authors of publication: Han, Zhisong; Peng, Jun; Liu, Li; Wang, Gang; Yu, Feng; Guo, Xuhong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 7864
• a: 12.039 ± 0.002 Å
• b: 12.503 ± 0.003 Å
• c: 13.461 ± 0.003 Å
• α: 94.26 ± 0.03°
• β: 95.68 ± 0.03°
• γ: 110.43 ± 0.03°
• Cell volume: 1876.5 ± 0.8 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No