Information card for entry 4079597

Structure parameters

• Formula: C44 H65 Ag2 F6 N9 O6 P2 S2
• Calculated formula: C44 H65 Ag2 F6 N9 O6 P2 S2
• SMILES: [Ag]12[Ag]([P](N3C=2N(C(=N3)c2ccccc2)CC)(C(C)(C)C)C(C)(C)C)=C2N([P]1(C(C)(C)C)C(C)(C)C)N=C(N2CC)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.O=S(=O)(C(F)(F)F)[O-].C(#N)C.CC#N.N#CC
• Title of publication: Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes
• Authors of publication: Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8257
• a: 23.6688 ± 0.0008 Å
• b: 11.2177 ± 0.0003 Å
• c: 22.725 ± 0.0011 Å
• α: 90°
• β: 114.363 ± 0.001°
• γ: 90°
• Cell volume: 5496.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No