Information card for entry 4311857

Structure parameters

• Common name: [Ru(1,10-phenantroline)(pyridine)(1,4,7-trithiacyclononane](ClO4)2
• Formula: C23 H27 Cl2 N3 O9 Ru S3
• Calculated formula: C23 H27 Cl2 N3 O9 Ru S3
• Title of publication: Synthesis, Structure, and Substitution Mechanism of New Ru(II) Complexes Containing 1,4,7-Trithiacyclononane and 1,10-Phenanthroline Ligands
• Authors of publication: Xavier Sala; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Gabriel González; Manuel Martínez; Jordi Benet-Buchholz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5403 - 5409
• a: 11.0103 ± 0.0004 Å
• b: 11.7826 ± 0.0004 Å
• c: 12.0065 ± 0.0004 Å
• α: 64.441 ± 0.001°
• β: 76.394 ± 0.001°
• γ: 83.704 ± 0.001°
• Cell volume: 1365.68 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No