Information card for entry 1568876

Structure parameters

• Formula: C57 H79 Cl D3 Fe Ga N4 P5 Si
• Calculated formula: C57 H82 Cl Fe1.0003 Ga N4 P5.0015 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: 37.7246 ± 0.0008 Å
• b: 16.1228 ± 0.0002 Å
• c: 19.9295 ± 0.0004 Å
• α: 90°
• β: 96.801 ± 0.002°
• γ: 90°
• Cell volume: 12036.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No