Information card for entry 1568871

Structure parameters

• Formula: C44 H64 Cl Ga Ge N4
• Calculated formula: C44 H64 Cl Ga Ge N4
• SMILES: [Ge]1([Ga]2(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)[N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1
• Title of publication: Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.
• Authors of publication: Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4769 - 4776
• a: 10.233 ± 0.002 Å
• b: 12.188 ± 0.002 Å
• c: 18.128 ± 0.006 Å
• α: 83.16 ± 0.02°
• β: 75.84 ± 0.02°
• γ: 74.802 ± 0.016°
• Cell volume: 2111.9 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.05
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No