Information card for entry 2006636

Structure parameters

• Common name: Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate
• Chemical name: tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate
• Formula: C2 H12 Cl Co N14 O8
• Calculated formula: C2 H12 Cl Co N14 O8
• SMILES: c1(nnn([Co]([NH3])([NH3])([NH3])([NH3])n2nnc(N(=O)=O)n2)n1)N(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K
• Authors of publication: Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1609 - 1611
• a: 10.031 ± 0.002 Å
• b: 10.547 ± 0.002 Å
• c: 14.861 ± 0.003 Å
• α: 90°
• β: 109.09 ± 0.03°
• γ: 90°
• Cell volume: 1485.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.1333
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No