Information card for entry 7711866

Structure parameters

• Formula: C89 H91 N O3 P4 Ru
• Calculated formula: C81 H71 N O P4 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#Cc1ccc2N([C@@]3(Oc4c(cccc4)C=C3)C(c2c1)(C)C)C)C#Cc1ccccc1
• Title of publication: Multifunctional switching properties of "wire-like" dinuclear ruthenium bis-alkynyl spiropyran complexes.
• Authors of publication: Jago, David; Langley, Amelia R.; Eaves, Samantha G.; Walkey, Mark C.; Pulbrook, Thea; Moggach, Stephen A.; Piggott, Matthew J.; Low, Paul J.; Koutsantonis, George A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 185 - 200
• a: 9.4183 ± 0.0001 Å
• b: 31.4732 ± 0.0002 Å
• c: 13.0007 ± 0.0001 Å
• α: 90°
• β: 104.668 ± 0.001°
• γ: 90°
• Cell volume: 3728.12 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No