Information card for entry 7205051

Structure parameters

• Formula: C5 H7 Cd Cl N6 O2
• Calculated formula: C5 H7 Cd Cl N6 O2
• Title of publication: Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties
• Authors of publication: Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 230
• a: 7.3629 ± 0.0003 Å
• b: 13.9028 ± 0.0006 Å
• c: 11.8372 ± 0.0004 Å
• α: 90°
• β: 123.425 ± 0.002°
• γ: 90°
• Cell volume: 1011.31 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No