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Information card for entry 4505466
Preview
Coordinates | 4505466.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H8.13 Cu2.5 N3 O10.06 |
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Calculated formula | C12 H8 Cu2.5 N3 O10.065 |
Title of publication | Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties |
Authors of publication | Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 1185 |
a | 26.685 ± 0.002 Å |
b | 7.4317 ± 0.0006 Å |
c | 15.7589 ± 0.0012 Å |
α | 90° |
β | 108.978 ± 0.001° |
γ | 90° |
Cell volume | 2955.3 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0324 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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