Information card for entry 2001446

Structure parameters

• Common name: Di-sodium-hexasulfido-bis(pentamethyldiethylendiamine)
• Formula: C18 H46 N6 Na2 S6
• Calculated formula: C18 H46 N6 Na2 S6
• SMILES: [N]1(C)(C)CC[N]2(C)CC[N](C)(C)[Na]1234[S](S[S]31)[S]2S[S]4[Na]1234[N](C)(C)CC[N]3(C)CC[N]4(C)C
• Title of publication: Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide
• Authors of publication: Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1482 - 1483
• a: 13.239 ± 0.001 Å
• b: 13.239 ± 0.001 Å
• c: 18.4 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3225 ± 0.5 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 133 ± 1 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No