Information card for entry 7013890

Structure parameters

• Common name: Ru Gorilla
• Formula: C33 H35 F6 N7 O8 Ru S2
• Calculated formula: C33 H31 F6 N7 O8 Ru S2
• SMILES: [Ru]12345[N](Cc6[n]1c(ccc6)C[N]2(Cc1ncccc1)Cc1[n]3cccc1)(Cc1[n]5cccc1)Cc1[n]4cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].O.O
• Title of publication: Strain-induced substitutional lability in a Ru(II) complex of a hypodentate polypyridine ligand.
• Authors of publication: Akermark, Björn; Bjernemose, Jens; Börje, Anna; Chmielewski, Piotr J.; Paulsen, Hauke; Simonsen, Ole; Stein, Paul C.; Toftlund, Hans; Wolny, Juliusz A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1215 - 1220
• a: 17.982 ± 0.001 Å
• b: 9.961 ± 0.003 Å
• c: 22.605 ± 0.001 Å
• α: 90°
• β: 110.332 ± 0.001°
• γ: 90°
• Cell volume: 3796.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No