Information card for entry 4088570

Structure parameters

• Formula: C58 H82 Ge2 N4 P2
• Calculated formula: C58 H82 Ge2 N4 P2
• SMILES: C1=C(C)N(c2c(cccc2C(C)C)C(C)C)[Ge]2([N](=C1C)c1c(cccc1C(C)C)C(C)C)[P][Ge]1([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[P]2
• Title of publication: Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene
• Authors of publication: Wu, Yile; Liu, Liu; Su, Jue; Zhu, Jun; Ji, Zhe; Zhao, Yufen
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1593
• a: 22.224 ± 0.004 Å
• b: 14.667 ± 0.003 Å
• c: 16.439 ± 0.003 Å
• α: 90°
• β: 90.063 ± 0.003°
• γ: 90°
• Cell volume: 5358.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No