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Information card for entry 2013104
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Coordinates | 2013104.cif |
---|---|
Structure factors | 2013104.hkl |
Original IUCr paper | HTML |
Formula | C16 H24 Cl6 Cu3 N16 |
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Calculated formula | C16 H24 Cl6 Cu3 N16 |
SMILES | [Cu]1([n]2nn(nc2)CC=C)[Cl][Cu]2([Cl]1)([n]1nn(nc1)CC=C)[Cl][Cu]1([Cl]2)([n]2n(ncn2)CC=C)([n]2nn(nc2)CC=C)[Cl][Cu]2([Cl]1)([n]1nn(nc1)CC=C)[Cl][Cu]1([Cl]2)([n]2nn(nc2)CC=C)[Cl][Cu]([Cl]1)([n]1n(ncn1)CC=C)([n]1nn(nc1)CC=C)(Cl)Cl |
Title of publication | <i>catena</i>-Poly[[tetrakis(2-allyltetrazole-κ<i>N</i>^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro] |
Authors of publication | Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 3 |
Pages of publication | m90 - m92 |
a | 9.7204 ± 0.0014 Å |
b | 23.495 ± 0.002 Å |
c | 14.541 ± 0.003 Å |
α | 90° |
β | 107.578 ± 0.014° |
γ | 90° |
Cell volume | 3165.8 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013104.html
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