Information card for entry 8105093

Structure parameters

• Formula: C26 H16 Cu N12 O2
• Calculated formula: C26 H16 Cu N12 O2
• Title of publication: Crystal structure of (5,5′-bitetrazole-1,1′-diolate)-bis(1,10-phenanthroline)-copper(II), C26H16CuN12O2
• Authors of publication: Jiaping, Zhu; Gang, Wang; Dang, Wu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 311 - 312
• a: 18.8 ± 0.004 Å
• b: 21.224 ± 0.004 Å
• c: 14.436 ± 0.003 Å
• α: 90°
• β: 112.094 ± 0.006°
• γ: 90°
• Cell volume: 5337.1 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No