Information card for entry 8102556

Structure parameters

• Chemical name: [Cu(N~3~)~2~(Py)~2~H~2~O]
• Formula: C10 H12 Cu N8 O
• Calculated formula: C10 H12 Cu N8 O
• SMILES: [Cu]([n]1ccccc1)([n]1ccccc1)(N=N#N)(N=N#N)[OH2]
• Title of publication: Crystal structure of aquadiazidobipyridylcopper(II), Cu(H2O)(N3)2(C5H5N)2
• Authors of publication: De-Liang Ma; Feng Gao; Zai-Sheng Lu; De-Zhong Niu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 685
• a: 7.9099 ± 0.0011 Å
• b: 8.6502 ± 0.0006 Å
• c: 10.8652 ± 0.0014 Å
• α: 71.126 ± 0.001°
• β: 86.694 ± 0.002°
• γ: 74.918 ± 0.001°
• Cell volume: 678.93 ± 0.14 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: 0.0947
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No