Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016790
Preview
Coordinates | 7016790.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H18 F6 Fe2 O4 S2 |
---|---|
Calculated formula | C29 H18 F6 Fe2 O4 S2 |
SMILES | C12=C3[C@@](C)([C@@]4(C(=C1C(C(C2(F)F)(F)F)(F)F)C=C(S4)[Fe]1245([cH]6[cH]1[cH]2[cH]4[cH]56)(C#[O])C#[O])C)SC(=C3)[Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].C12=C3[C@](C)([C@]4(C(=C1C(C(C2(F)F)(F)F)(F)F)C=C(S4)[Fe]1245([cH]6[cH]1[cH]2[cH]4[cH]56)(C#[O])C#[O])C)SC(=C3)[Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
Title of publication | Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch. |
Authors of publication | Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10643 - 10657 |
a | 10.8074 ± 0.0018 Å |
b | 11.2063 ± 0.0019 Å |
c | 12.978 ± 0.002 Å |
α | 97.203 ± 0.008° |
β | 98.033 ± 0.009° |
γ | 114.204 ± 0.006° |
Cell volume | 1390.2 ± 0.4 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.1801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/7016790.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.