Information card for entry 4315120

Structure parameters

• Formula: C20.5 H15 Cl N3 O4 Re S2
• Calculated formula: C20.5 H15 Cl N3 O4 Re S2
• Title of publication: Functionalized O-Alkyldithiocarbonates: A New Class of Ligands Designed for Luminescent Heterometallic Materials
• Authors of publication: Radu F. Semeniuc; Thomas J. Reamer; Jonathan P. Blitz; Kraig A. Wheeler; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2624 - 2629
• a: 6.4657 ± 0.0005 Å
• b: 13.0464 ± 0.0011 Å
• c: 14.51 ± 0.0012 Å
• α: 112.213 ± 0.002°
• β: 99.322 ± 0.002°
• γ: 90.503 ± 0.002°
• Cell volume: 1114.89 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No