Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015117
Preview
Coordinates | 7015117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H38 Cl2 N4 Ni O20 S W6 |
---|---|
Calculated formula | C19 H38 Cl2 N4 Ni O20 S W6 |
SMILES | C1C[N]2=C(CC(C)(C)N3CC[N]4=C(CC(C)(C)N1[Ni]234)C)C.C(Cl)Cl.CS(C)=O.O=[W]1234O[W]567(O[W]89(O1)([O]1%1035[W]3(O2)(O8)(=O)O[W]1(O9)(=O)(O6)O[W]%10(O3)(=O)(O7)O4)=O)=O |
Title of publication | Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19]. |
Authors of publication | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 12 |
Pages of publication | 2954 - 2966 |
a | 18.1285 ± 0.0013 Å |
b | 16.4933 ± 0.0012 Å |
c | 12.8503 ± 0.0009 Å |
α | 90° |
β | 96.554 ± 0.001° |
γ | 90° |
Cell volume | 3817.1 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 8 |
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 | 0.038 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
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/7015117.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.