Information card for entry 7009207

Structure parameters

• Formula: C30 H40 As4 Cl F6 N2 P Ru
• Calculated formula: C30 H40 As4 Cl F6 N2 P Ru
• SMILES: [Ru]12([As](C)(C)c3ccccc3[As]1(C)C)([As](C)(C)c1ccccc1[As]2(C)C)(Cl)[n]1ccc(cc1)c1ccncc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A spectroscopic, electrochemical and structural study of polarizable, dipolar ruthenium(II) arsine complexes as models for chromophores with large quadratic non-linear optical responses
• Authors of publication: Coe, Benjamin J.; Beyer, Tim; Jeffery, John C.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 797
• a: 17.847 ± 0.004 Å
• b: 9.386 ± 0.002 Å
• c: 27.936 ± 0.006 Å
• α: 90°
• β: 101.44 ± 0.03°
• γ: 90°
• Cell volume: 4586.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1257
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No