Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005268
Preview
Coordinates | 7005268.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Octakis(3(5)-phenylpyrazolido)tetracopper(ii) hemi-pentane solvate |
---|---|
Chemical name | Octakis[3{5}-phenylpyrazolido]tetracopper(II) hemi-pentane solvate |
Formula | C74.5 H62 Cu4 N16 |
Calculated formula | C74.32 H61.86 Cu4 N15.96 |
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 | 18.978 ± 0.004 Å |
b | 17.233 ± 0.003 Å |
c | 22.798 ± 0.005 Å |
α | 90° |
β | 114.117 ± 0.008° |
γ | 90° |
Cell volume | 6805 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0819 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005268.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.