Information card for entry 4516262

Structure parameters

• Formula: C58 H60 Cl8 P2 Ru2
• Calculated formula: C58 H60 Cl8 P2 Ru2
• SMILES: C[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](c1ccc(c2ccc([P](c3ccccc3)(c3ccccc3)[Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C)C(C)C)(Cl)Cl)cc2)cc1)(c1ccccc1)c1ccccc1)(Cl)Cl)C(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Reversible Guest Removal and Selective Guest Exchange with a Covalent Dinuclear Wheel-and-Axle Metallorganic Host Constituted by Half-Sandwich Ru(II) Wheels Connected by a Linear Diphosphine Axle
• Authors of publication: Bacchi, Alessia; Bourne, Susan; Cantoni, Giulia; Cavallone, Silvia A. M.; Mazza, Simona; Mehlana, Gift; Pelagatti, Paolo; Righi, Lara
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1876
• a: 9.709 ± 0.016 Å
• b: 18.44 ± 0.03 Å
• c: 16.53 ± 0.03 Å
• α: 90°
• β: 99.02 ± 0.02°
• γ: 90°
• Cell volume: 2923 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1838
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No