Information card for entry 1568873

Structure parameters

• Formula: C57 H86 As5 Cl Fe Ga N4 Si
• Calculated formula: C57 H86 As5 Cl Fe Ga N4 Si
• 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: 13.5496 ± 0.0007 Å
• b: 15.458 ± 0.0008 Å
• c: 16.9929 ± 0.0009 Å
• α: 91.392 ± 0.004°
• β: 107.271 ± 0.004°
• γ: 110.499 ± 0.004°
• Cell volume: 3150.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No