Information card for entry 2006637

Structure parameters

• Common name: Tetraammine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate
• Chemical name: tetraammine-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: 9.946 ± 0.007 Å
• b: 10.542 ± 0.005 Å
• c: 14.82 ± 0.007 Å
• α: 90°
• β: 108.68 ± 0.04°
• γ: 90°
• Cell volume: 1472 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 5 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: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.1093
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No