Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005267
Preview
Coordinates | 7005267.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tetrakis(3(5)-(pyrid-2-yl)pyrazolido)dicopper(ii) dichloroform hemihydrate solvate |
---|---|
Chemical name | Tetrakis[3{5}-(pyrid-2-yl)pyrazolido]dicopper(II) dichloroform hemihydrate solvate |
Formula | C34 H27 Cl6 Cu2 N12 O0.5 |
Calculated formula | C34 H27 Cl6 Cu2 N12 O0.5 |
SMILES | [Cu]123(n4[n]([Cu]56(n7[n]2ccc7c2[n]5cccc2)n2nccc2c2[n]6cccc2)ccc4c2[n]1cccc2)n1nccc1c1[n]3cccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O |
Title of publication | Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2). |
Authors of publication | Mokuolu, Q. Folshade; Foguet-Albiol, Dolos; Jones, Leigh F.; Wolowska, Joanna; Kowalczyk, Radoslaw M.; Kilner, Colin A.; Christou, George; McGowan, Patrick C.; Halcrow, Malcolm A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 14 |
Pages of publication | 1392 - 1399 |
a | 27.6069 ± 0.0003 Å |
b | 17.8695 ± 0.0002 Å |
c | 32.0957 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 15833.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1032 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1399 |
Weighted residual factors for all reflections included in the refinement | 0.1639 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7005267.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.