Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509694
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4509694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H90 As2 Cu Mo12 N10 O70 |
---|---|
Calculated formula | C12 H18 As2 Cu Mo12 O80 |
SMILES | O=[Mo]123(=O)O[Mo]4(=O)(=O)([O]2[As]2[O]5[Mo]6(O[Mo]5(O1)(=O)(=O)[O]=C(C)O6)(O[Mo]15([O]2[Mo](O4)(=O)(=O)(O1)[O]=C(C)O5)(=O)=O)(=O)=O)[O]=C(C)O3.[Cu]([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.C1(C)=[O][Mo]23([O]4[As]5[O]6[Mo]7(O[Mo]6(=O)(=O)(O3)[O]=C(C)O7)(O[Mo]36([O]5[Mo](O[Mo]4(O2)(=O)(=O)O1)(=O)(=O)(O3)[O]=C(C)O6)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units |
Authors of publication | Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 12 |
Pages of publication | 5206 |
a | 10.7383 ± 0.0017 Å |
b | 11.9618 ± 0.0018 Å |
c | 18.087 ± 0.003 Å |
α | 71.024 ± 0.002° |
β | 88.929 ± 0.003° |
γ | 67.634 ± 0.002° |
Cell volume | 2017 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0548 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
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/4509694.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.