Information card for entry 7129469

Structure parameters

• Formula: C54 H80 Ge2 N4 P2
• Calculated formula: C54 H80 Ge2 N4 P2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=N[P](C(C)(C)C)(C(C)(C)C)[Ge]1[Ge]1N(c2c(cccc2C(C)C)C(C)C)C(=N[P]1(C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Reversible CO2 activation by a N-phosphinoamidinato digermyne
• Authors of publication: Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.844 ± 0.0006 Å
• b: 12.6688 ± 0.0006 Å
• c: 25.5968 ± 0.0013 Å
• α: 90°
• β: 103.5 ± 0.004°
• γ: 90°
• Cell volume: 5311.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No