Information card for entry 7132001

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: 13.0245 ± 0.0006 Å
• b: 14.1722 ± 0.0009 Å
• c: 17.0849 ± 0.0012 Å
• α: 105.823 ± 0.005°
• β: 106.4 ± 0.005°
• γ: 97.542 ± 0.005°
• Cell volume: 2835.6 ± 0.3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.1993
• Residual factor for significantly intense reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.383
• Weighted residual factors for all reflections included in the refinement: 0.4084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No