Information card for entry 4083011

Structure parameters

• Formula: C50 H43 As4 F N O18 P V4
• Calculated formula: C50 H43 As4 F N O18 P V4
• SMILES: [As]12(O[V]34(O[V]5(O[As]6(O[V]7(O[V](O[As](O4)(O7)c4ccccc4)(O6)(O[As](O3)(O5)c3ccccc3)=O)(=O)O2)c2ccccc2)(=O)O1)=O)c1ccccc1.[F-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C
• Title of publication: Control of Bridging Ligands in [(V2O3)2(RXO3)4⊂F]−Cage Complexes: A Unique Way To Tune Their Chemical Properties
• Authors of publication: Rabeah, Jabor; Dimitrov, Anton; Surkus, Annette-Enrica; Jiao, Haijun; Baumann, Wolfgang; Stößer, Reinhard; Radnik, Jörg; Bentrup, Ursula; Brückner, Angelika
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4905
• a: 14.6958 ± 0.0019 Å
• b: 18.567 ± 0.002 Å
• c: 19.811 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5405.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No