Information card for entry 2011538

Structure parameters

• Formula: C18 H28 N2 Se2
• Calculated formula: C18 H28 N2 Se2
• SMILES: [Se-]c1ccccc1.[Se-]c1ccccc1.[NH+](C)(C)CC[NH+](C)C
• Title of publication: Hydrogen bonding in <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium bis(benzeneselenolate)
• Authors of publication: Feldmann, Arnold A.; Schmengler, Kai; Laue, Klaus; Marose, Stefan; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e531 - e531
• a: 11.542 ± 0.004 Å
• b: 11.246 ± 0.005 Å
• c: 15.641 ± 0.005 Å
• α: 90°
• β: 105.43 ± 0.03°
• γ: 90°
• Cell volume: 1957 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes