Information card for entry 7131999

Structure parameters

• Formula: C52 H43 B F24 Mn N O5 P2
• Calculated formula: C52 H43 B F24 Mn N O5 P2
• 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: 12.9543 ± 0.0006 Å
• b: 14.1111 ± 0.0006 Å
• c: 17.0692 ± 0.0008 Å
• α: 105.704 ± 0.004°
• β: 106.445 ± 0.004°
• γ: 97.358 ± 0.004°
• Cell volume: 2809.2 ± 0.2 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 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: 0.0492
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No