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Information card for entry 8102556
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 8102556.cif |
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Chemical name | [Cu(N~3~)~2~(Py)~2~H~2~O] |
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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 Å3 |
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 |
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