Information card for entry 7716873

Structure parameters

• Formula: C83 H60 Cl6 N2 O6 P4 W2
• Calculated formula: C83 H60 Cl6 N2 O6 P4 W2
• 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: 9.4778 ± 0.0006 Å
• b: 18.2165 ± 0.0012 Å
• c: 21.7061 ± 0.0014 Å
• α: 90°
• β: 90.038 ± 0.003°
• γ: 90°
• Cell volume: 3747.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No