Information card for entry 4114117

Structure parameters

• Common name: suzuki03
• Formula: C13 H21 Ir N4 S2
• Calculated formula: C13 H21 Ir N4 S2
• Title of publication: Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes
• Authors of publication: Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10514 - 10515
• a: 15.507 ± 0.0002 Å
• b: 12.028 ± 0.0003 Å
• c: 8.874 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.16 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No