Information card for entry 4331985

Structure parameters

• Formula: C3 H3 Cl0.5 Co N4.5
• Calculated formula: C3 H3 Cl0.5 Co N4.5
• Title of publication: Hydrothermal Synthesis and Structure of a Three-Dimensional Cobalt(II) Triazolate Magnet
• Authors of publication: Ouellette, Wayne; Galán-Mascarós, José R.; Dunbar, Kim R.; Zubieta, Jon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1909 - 1911
• a: 7.4914 ± 0.0005 Å
• b: 9.9397 ± 0.0007 Å
• c: 17.3805 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1294.19 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No