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Information card for entry 4509588
Preview
Coordinates | 4509588.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H76 Cl8 Cu7 N14 O72 P2 W18 |
---|---|
Calculated formula | C84 H56 Cl8 Cu7 N14 O72 P2 W18 |
SMILES | [W]1234(O[W]567(O[W]89(O[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19(O[W]%20%21(O5)(O[W]5%22(O[W]%23%24%25(O[W]%26%27(O[W]%28(O%14)(O%16)(O[W]%14%16(O[W]%29%30(O[W]%31%32(=O)(O[W](O%23)(O%21)(O6)(=O)[O]%32=P([O]%19%20)([O]%12[W]6(O[Cu]%12([OH2])([Cl][Cu]%19(O[W](O%13)(O%29)(O6)([O]%15=P([O]%24%30)([O]%175)[O]%27%28%16)O%14)([Cl][Cu]5([OH2])([Cl][Cu]6([n]%13cccc%14ccc%15ccc[n]6c%15c%13%14)([Cl][Cu]6%13([Cl][Cu]%14([n]%15cccc%16ccc%17ccc[n]%14c%17c%15%16)([Cl]6)[Cl][Cu]6([OH2])([OH2])[n]%14cccc%15ccc%16ccc[n]6c%16c%14%15)[n]6cccc%14ccc%15ccc[n]%13c%15c6%14)Cl)[n]6cccc%13ccc%14ccc[n]5c%14c6%13)[n]5cccc6ccc%13ccc[n]%19c%13c56)[n]5cccc6c5c5c(cc6)ccc[n]%125)(O%11)(O%31)O4)[O]379)O2)(=O)O%25)(O%26)=O)=O)(O%22)=O)=O)(O%18)=O)=O)(O%10)(=O)O8)=O)=O)=O)(O1)=O)=O)=O.O.O.O.O.O.O |
Title of publication | Assembly of Organic−Inorganic Hybrid Materials Based on Dawson-Type Polyoxometalate and Multinuclear Copper−Phen Complexes with Unique Magnetic Properties |
Authors of publication | Zhang, Chun-Dan; Liu, Shu-Xia; Sun, Chun-Yan; Ma, Feng-Ji; Su, Zhong-Min |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 3655 |
a | 14.1255 ± 0.0009 Å |
b | 17.2468 ± 0.0011 Å |
c | 28.2613 ± 0.0018 Å |
α | 101.025 ± 0.001° |
β | 99.011 ± 0.001° |
γ | 92.732 ± 0.001° |
Cell volume | 6653.1 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0905 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1231 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4509588.html
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