Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229341
Preview
Coordinates | 7229341.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H56 Ca Cl6 N4 Ni2 O18 |
---|---|
Calculated formula | C44 H56 Ca Cl6 N4 Ni2 O18 |
SMILES | C[O]1c2c3c(ccc2)C=[N]2[Ni]456([O]7[Ca]89%101([O]1[Ni]%11%12([N](=Cc%13c1c7c(C=[N]4OCCO2)c1c%13cccc1)OCCO[N]%11=Cc1cccc(c1[O]8%12)[O]9C)([O]=C(C)O%10)[OH]C)([O]35)[O]=C(C)O6)[OH]C.C(C)O.C(C)O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties |
Authors of publication | Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 76 |
Pages of publication | 48394 |
a | 15.4086 ± 0.0008 Å |
b | 12.0628 ± 0.0006 Å |
c | 29.5294 ± 0.0009 Å |
α | 90° |
β | 100.627 ± 0.005° |
γ | 90° |
Cell volume | 5394.5 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/7229341.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.