Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214789
Preview
Coordinates | 7214789.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride |
---|---|
Formula | C27 H41 Cl2 Cu N3 O6 |
Calculated formula | C27 H41 Cl2 Cu N3 O6 |
SMILES | C1[NH](CCOC1)[Cu]1(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([NH]1CCOCC1)[OH2].O1CC[NH2+]CC1.[Cl-].[Cl-] |
Title of publication | Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests |
Authors of publication | Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 7493 |
a | 11.1998 ± 0.001 Å |
b | 17.0668 ± 0.001 Å |
c | 8.4726 ± 0.0006 Å |
α | 90° |
β | 102.461 ± 0.008° |
γ | 90° |
Cell volume | 1581.3 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 8 |
Hermann-Mauguin space group symbol | C 1 m 1 |
Hall space group symbol | C -2y |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.13 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/7214789.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.