Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021258
Preview
Coordinates | 2021258.cif |
---|---|
Structure factors | 2021258.hkl |
Original IUCr paper | HTML |
Chemical name | Heptaammonium azidotetradecavanadate dimethyl sulfoxide hexasolvate |
---|---|
Formula | C12 H64 N10 O44 S6 V14 |
Calculated formula | C12 H64 N10 O44 S6 V14 |
SMILES | [V]123(=O)O[V]45(=O)O[V]67(=O)O[V]89([O]6[V]6%10([O]7[V](=O)(O5)(O[V]5(=O)([O]24)[O]3[V]2(=O)(O5)O[V]34(=O)O[V]57(=O)O[V]%11(=O)(O%10)[O]5[V](=O)([O]8%11)(O[V]5(=O)(O7)[O]4[V](O1)([O]23)(=O)O5)O9)O6)=O)=O.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.[NH4+].[NH4+].[NH4+].[NH4+].[N-]=N#N.[NH4+].[NH4+].[NH4+] |
Title of publication | Synthesis and structural characterization of tube-type tetradecavanadates |
Authors of publication | Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 11 |
a | 19.272 ± 0.003 Å |
b | 24.785 ± 0.003 Å |
c | 14.552 ± 0.004 Å |
α | 90° |
β | 116.387 ± 0.015° |
γ | 90° |
Cell volume | 6227 ± 2 Å3 |
Cell temperature | 83 ± 2 K |
Ambient diffraction temperature | 83 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71075 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/2021258.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.