Information card for entry 7132000

Structure parameters

• Formula: C55 H51 B F24 N O4 P2 Re
• Calculated formula: C55 H51 B F24 N O4 P2 Re
• Title of publication: In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes
• Authors of publication: Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 12.8747 ± 0.0001 Å
• b: 14.5162 ± 0.0001 Å
• c: 17.7612 ± 0.0002 Å
• α: 106.705 ± 0.001°
• β: 93.665 ± 0.001°
• γ: 98.232 ± 0.001°
• Cell volume: 3127.18 ± 0.05 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 298 ± 0.2 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: 0.0287
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No