Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2311917
Preview
Coordinates | 2311917.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)yttrium methanol disolvate |
---|---|
Formula | C54 H92 Cl O14 P2 Y |
Calculated formula | C54 H92 Cl O14 P2 Y |
SMILES | c1(c(cccc1C(C)C)C(C)C)OP(=O)(O[Y]([OH]C)([OH]C)(Cl)([OH]C)([OH]C)OP(=O)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C)Oc1c(cccc1C(C)C)C(C)C.OC.CO |
Title of publication | Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds. |
Authors of publication | Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | Pt 10 |
Pages of publication | 820 - 827 |
a | 16.9203 ± 0.0005 Å |
b | 12.3877 ± 0.0004 Å |
c | 30.3676 ± 0.001 Å |
α | 90° |
β | 104.708 ± 0.001° |
γ | 90° |
Cell volume | 6156.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0602 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0954 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/2311917.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.