Information card for entry 7209321

Structure parameters

• Formula: C7 H4 Cd N6 O2
• Calculated formula: C7 H4 Cd N6 O2
• Title of publication: Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine
• Authors of publication: Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Pages of publication: 3038 - 3045
• a: 3.5617 ± 0.0004 Å
• b: 11.4103 ± 0.0013 Å
• c: 12.0524 ± 0.0014 Å
• α: 71.286 ± 0.002°
• β: 83.404 ± 0.002°
• γ: 87.609 ± 0.002°
• Cell volume: 460.84 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes