Information card for entry 4100629

Structure parameters

• Common name: Complex 3
• Formula: C22 H33 N O W
• Calculated formula: C22 H33 N O W
• SMILES: [W]1234567(N=O)([c]8([c]5([c]2([c]1([c]38C)C)C)C)C)[CH]1=[CH]6[C@H]([C@H]2[C@@H]4CCCC2)CCC71.[W]1234567(N=O)([c]8([c]5([c]2([c]1([c]38C)C)C)C)C)[CH]1=[CH]6[C@@H]([C@@H]2[C@H]4CCCC2)CCC71
• Title of publication: 1,5-Diamino-4-methyltetrazolium dinitramide
• Authors of publication: Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 22.1618 ± 0.0003 Å
• b: 13.0316 ± 0.0002 Å
• c: 17.9373 ± 0.0003 Å
• α: 90°
• β: 131.682 ± 0.002°
• γ: 90°
• Cell volume: 3868.93 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No