Information card for entry 4329115

Structure parameters

• Formula: C4 H10 Cu N12
• Calculated formula: C4 H10 Cu N12
• SMILES: CN1[NH2][Cu]2([NH2]N(C)c3n2nnn3)n2c1nnn2
• Title of publication: Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes
• Authors of publication: Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5305 - 5312
• a: 6.2643 ± 0.0002 Å
• b: 9.6889 ± 0.0003 Å
• c: 7.8137 ± 0.0003 Å
• α: 90°
• β: 92.633 ± 0.001°
• γ: 90°
• Cell volume: 473.75 ± 0.03 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0207
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No