Information card for entry 4082394

Structure parameters

• Formula: C63 H58 Cl4 N3 O P2 Ru S2
• Calculated formula: C63 H58 Cl4 N3 O P2 Ru S2
• Title of publication: Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups
• Authors of publication: Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 885
• a: 12.6927 ± 0.0009 Å
• b: 13.0634 ± 0.0009 Å
• c: 18.0094 ± 0.0013 Å
• α: 99.217 ± 0.001°
• β: 99.242 ± 0.001°
• γ: 95.765 ± 0.001°
• Cell volume: 2884.8 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No