Information card for entry 7704138

Structure parameters

• Formula: C64 H82 N4 P2
• Calculated formula: C64 H82 N4 P2
• SMILES: P1(C(=C2N(c3c(cccc3C(C)C)C(C)C)CCN2c2c(cccc2C(C)C)C(C)C)PC1=C1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(cccc1C(C)C)C(C)C)C#Cc1ccccc1
• Title of publication: Facile addition of E-H bonds to a dicarbondiphosphide.
• Authors of publication: Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6384 - 6390
• a: 12.5962 ± 0.0002 Å
• b: 13.0948 ± 0.0002 Å
• c: 34.8018 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5740.37 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No