Information card for entry 2206566

Structure parameters

• Chemical name: Di-μ-aqua-bis[{N-[(2-dimethylamino-κN)ethyl]-N,N',N'-trimethylethane- 1,2-diamine-κ^2^N,N'}sodium(I)] diiodide
• Formula: C18 H50 I2 N6 Na2 O2
• Calculated formula: C18 H50 I2 N6 Na2 O2
• SMILES: C(C[N]1(CC[N]2(C)C)C)[N](C)(C)[Na]123[OH2][Na]12([OH2]3)[N](C)(C)CC[N]1(CC[N]2(C)C)C.[I-].[I-]
• Title of publication: Di-μ-aqua-bis[{<i>N</i>- [(2-dimethylamino-κ<i>N</i>)ethyl]-<i>N</i>,<i>N</i>',<i>N</i>'-trimethylethane- 1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}sodium(I)] diiodide
• Authors of publication: Jeanneau, Erwann; Mishra, Shashank; Hubert-Pfalzgraf, Liliane G.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o1528 - o1530
• a: 13.7534 ± 0.0006 Å
• b: 17.1348 ± 0.0008 Å
• c: 7.6723 ± 0.0003 Å
• α: 90°
• β: 120.997 ± 0.002°
• γ: 90°
• Cell volume: 1549.87 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No