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Information card for entry 7206204
Preview
Coordinates | 7206204.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H16 Cl6 Cu N12 |
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Calculated formula | C6 H16 Cl6 Cu N12 |
SMILES | c1(nc([nH+]c([nH+]1)N)N)N.Cl[Cu](Cl)([Cl-])([Cl-])[Cl-].[Cl-].c1([nH+]c([nH+]c(n1)N)N)N |
Title of publication | Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties |
Authors of publication | Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 14 |
Pages of publication | 4683 |
a | 5.6857 ± 0.0001 Å |
b | 15.0893 ± 0.0004 Å |
c | 10.3687 ± 0.0003 Å |
α | 90° |
β | 92.8634 ± 0.0008° |
γ | 90° |
Cell volume | 888.45 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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