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Information card for entry 2220837
Preview
Coordinates | 2220837.cif |
---|---|
Structure factors | 2220837.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-10,22-Dichloro-3,6-bis(2-furylmethyl)-3,6,14,18- tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(23),8,10,12(25),13,18,20(24),21- octaene-24,25-diolato- κ^8^N^3^,N^6^,O^24^,O^25^:N^14^,N^18^,O^24^:O^25^]bis[chloridocopper(II)] acetonitrile solvate |
---|---|
Formula | C33 H33 Cl4 Cu2 N5 O4 |
Calculated formula | C33 H33 Cl4 Cu2 N5 O4 |
SMILES | c12c3cc(cc1C[N]1(CC[N]4(Cc5c6c(cc(c5)Cl)C=[N]5CCC[N](=C3)[Cu]75(Cl)[O]2[Cu]14(Cl)[O]67)Cc1ccco1)Cc1ccco1)Cl.CC#N |
Title of publication | [μ-10,22-Dichloro-3,6-bis(2-furylmethyl)-3,6,14,18-tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(23),8,10,12(25),13,18,20(24),21-octaene-24,25-diolato-κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^24^,<i>O</i>^25^:<i>N</i>^14^,<i>N</i>^18^,<i>O</i>^24^:<i>O</i>^25^]bis[chloridocopper(II)] acetonitrile solvate |
Authors of publication | Chen, Chen; Cheng, Yu; Liu, Pan; Zhou, Hong; Pan, Zhi-Quan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 2 |
Pages of publication | m162 |
a | 10.4439 ± 0.0019 Å |
b | 13.083 ± 0.004 Å |
c | 14.319 ± 0.003 Å |
α | 112.039 ± 0.003° |
β | 100.29 ± 0.004° |
γ | 98.259 ± 0.003° |
Cell volume | 1736.1 ± 0.7 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0773 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/2220837.html
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