Information card for entry 7013340

Structure parameters

• Formula: C14 H23 Cl2 Ir S2
• Calculated formula: C14 H23 Cl2 Ir S2
• SMILES: [Ir]12345(Cl)([S]6CC[S]1CC6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Cl-]
• Title of publication: Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/
• Authors of publication: Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3534
• a: 13.637 ± 0.003 Å
• b: 9.363 ± 0.006 Å
• c: 14.055 ± 0.004 Å
• α: 90°
• β: 109 ± 0.02°
• γ: 90°
• Cell volume: 1696.8 ± 1.3 ų
• Cell temperature: 301.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No