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Information card for entry 4301084
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4301084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H172 Cu4 Ge2 N12 O82 W18 |
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Calculated formula | C48 Cu4 Ge2 N12 O82 W18 |
SMILES | C(CCC)[NH3+].C([NH3+])CCC.C([NH3+])CCC.[NH3+]CCCC.[NH3+]CCCC.[NH3+]CCCC.O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11([O]%129[W]9(O8)(=O)(O%10)O[W]8%10(O2)([O]24[W]4(O3)(=O)(O8)O[W]38(O5)([O]57[W](O6)(=O)(O3)(O1)[O]1[Cu]367[O]8[Cu]8%13%14([O]%15[Cu]%16(O%10)(O9)[O]8([Ge]%1225)[Cu]251(O%11)O[W]189(O[W]%10%11%12(=O)O[W]%17%18%19(=O)O[W]%20%21(=O)(O%10)O[W]%10%22([O]%23%20[W](O%21)(=O)(O%22)(O[W](O%11)([O]1%12[Ge]%23([O]1%19[W](O%17)(=O)(O9)(O[W]1%15(O%18)(=O)O%10)[O]%162)[O]3%135)(=O)(O8)O7)O6)(=O)O%14)=O)O4)=O)=O)=O.O.O.O.O.O.O.O.C(CCC)[NH3+].C(CCC)[NH3+].C([NH3+])CCC.[NH3+]CCCC.[NH3+]CCCC.[NH3+]CCCC.O.O.O.O.O.O.O |
Title of publication | Structure and Magnetism of [n-BuNH3]12[Cu4(GeW9O34)2].14H2O Sandwiching a Rhomblike Cu48+ Tetragon through α-Keggin Linkage |
Authors of publication | Toshihiro Yamase; Hiroko Abe; Eri Ishikawa; Hiroyuki Nojiri; Yuhgo Ohshima |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 138 - 148 |
a | 12.598 ± 0.007 Å |
b | 16.115 ± 0.01 Å |
c | 16.337 ± 0.01 Å |
α | 108.74 ± 0.007° |
β | 94.934 ± 0.006° |
γ | 98.701 ± 0.008° |
Cell volume | 3072 ± 3 Å3 |
Cell temperature | 300 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.2196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.7107 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/4301084.html
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Users of the data should acknowledge the original authors of the
structural data.