Information card for entry 7716874

Structure parameters

• Formula: C41.5 H31 Cl4 N O3.5 P2 Re
• Calculated formula: C41.5 H31 Cl4 N O3.5 P2 Re
• Title of publication: mer-M(CO)3(PNP)0/+Pincer Complexes (M = W(0) or Re(I); PNP = 4,5-Bis(diphenylphosphino)acridine): Synthesis, Spectroscopy and Anti-Kasha Emission
• Authors of publication: Yip, John; Nguyen, Van Ha; Lim, Eu Gene; Gao, Yifei
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 11.8019 ± 0.0006 Å
• b: 17.4795 ± 0.0008 Å
• c: 19.5354 ± 0.001 Å
• α: 92.227 ± 0.002°
• β: 91.695 ± 0.002°
• γ: 109.672 ± 0.002°
• Cell volume: 3788 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No