Information card for entry 4114119

Structure parameters

• Common name: suzuki06
• Formula: C13 H21 Ir N2 S2
• Calculated formula: C13 H21 Ir N2 S2
• SMILES: [Ir]12345([S]=C(SN=2)N(C)C)[c]2([c]1([c]4([c]3(C)[c]52C)C)C)C
• 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: 9.729 ± 0.0003 Å
• b: 11.251 ± 0.0004 Å
• c: 14.133 ± 0.0006 Å
• α: 90°
• β: 101.808 ± 0.0014°
• γ: 90°
• Cell volume: 1514.28 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No