Information card for entry 7129262

Structure parameters

• Formula: C46 H26 N4 O4 Rh2
• Calculated formula: C46 H26 N4 O4 Rh2
• SMILES: [Rh]12([Rh]3(n4c5c6c(c7[n]2c(=C(c2n1c(c1c(c8[n]3c(=C(c4cc5)c3ccccc3)cc8)cccc1)cc2)c1ccccc1)cc7)cccc6)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Porphyrin(2.1.2.1) as a novel binucleating ligand: synthesis and molecular structures of mono- and di-rhodium(i) complexes
• Authors of publication: Xue, Songlin; Liu, Ningchao; Mei, Peifeng; Kuzuhara, Daiki; Zhou, Mingbo; Pan, Jianming; Yamada, Hiroko; Qiu, Fengxian
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 13.6924 ± 0.0012 Å
• b: 18.024 ± 0.0017 Å
• c: 26.204 ± 0.002 Å
• α: 90.341 ± 0.002°
• β: 104.62 ± 0.002°
• γ: 98.347 ± 0.002°
• Cell volume: 6185.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1087
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No