Information card for entry 7705637

Structure parameters

• Formula: C54 H62 N2 O2 Ru S2
• Calculated formula: C54 H62 N2 O2 Ru S2
• SMILES: [Ru]1234([S](Cc5ccccc5)c5c(N3c3c(O2)c(C(C)(C)C)cc(C(C)(C)C)c3)cccc5)[S](Cc2ccccc2)c2ccccc2N4c2cc(C(C)(C)C)cc(c2O1)C(C)(C)C
• Title of publication: Probing the electronic structure of [Ru(L¹)₂]^<i>Z</i> (<i>z</i> = 0, 1+ and 2+) (H₂L¹: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.
• Authors of publication: Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15355 - 15375
• a: 10.489 ± 0.002 Å
• b: 11.622 ± 0.002 Å
• c: 21.239 ± 0.004 Å
• α: 82.011 ± 0.003°
• β: 84.971 ± 0.004°
• γ: 67.666 ± 0.004°
• Cell volume: 2369.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No