Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015384
Preview
Coordinates | 7015384.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H48 Cl Co2 N7 O9 |
---|---|
Calculated formula | C42 H48 Cl Co2 N7 O9 |
SMILES | [Co]12345[O]=C(C)O[Co]678([O]1c1c(cc(cc1C[N]7(Cc1[n]8cccc1)Cc1[n]6cccc1)C(C)(C)C)C[N]4(Cc1[n]5cccc1)Cc1[n]3cccc1)[O]=C(O2)C.Cl(=O)(=O)(=O)[O-].N#CC |
Title of publication | Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. |
Authors of publication | Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 13 |
Pages of publication | 3336 - 3345 |
a | 12.0489 ± 0.0005 Å |
b | 21.8143 ± 0.001 Å |
c | 16.8981 ± 0.0008 Å |
α | 90° |
β | 96.195 ± 0.002° |
γ | 90° |
Cell volume | 4415.5 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7015384.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.