Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2224500
Preview
Coordinates | 2224500.cif |
---|---|
Structure factors | 2224500.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(2,4-dichloro-6-formylphenolato)zinc(II)‒bis(μ-2,4-dichloro- 6-formylphenolato)bis[aqua(2,4-dichloro-6-formylphenolato)zinc(II)] (2/1) |
---|---|
Formula | C56 H36 Cl16 O22 Zn4 |
Calculated formula | C56 H36 Cl16 O22 Zn4 |
SMILES | c1c2C=[O][Zn]3([OH2])([OH2])(Oc2c(cc1Cl)Cl)Oc1c(cc(cc1C=[O]3)Cl)Cl.[O]1[Zn]23([O]=Cc4c([O]2[Zn]25(Oc6c(cc(cc6C=[O]2)Cl)Cl)([O]3c2c(cc(cc2C=[O]5)Cl)Cl)[OH2])c(cc(c4)Cl)Cl)([OH2])Oc2c(cc(cc2C=1)Cl)Cl.c12c(cc(cc1C=[O][Zn]1(O2)(Oc2c(cc(cc2C=[O]1)Cl)Cl)([OH2])[OH2])Cl)Cl |
Title of publication | Diaquabis(2,4-dichloro-6-formylphenolato)zinc(II)‒bis(μ-2,4-dichloro-6-formylphenolato)bis[aqua(2,4-dichloro-6-formylphenolato)zinc(II)] (2/1) |
Authors of publication | Watanabe, Yoshimasa; Aritake, Yoshikazu; Akitsu, Takashiro |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 12 |
Pages of publication | m1640 - m1641 |
a | 8.7532 ± 0.0009 Å |
b | 13.6973 ± 0.0015 Å |
c | 14.2833 ± 0.0015 Å |
α | 96.244 ± 0.002° |
β | 91.7 ± 0.001° |
γ | 106.096 ± 0.001° |
Cell volume | 1632.4 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.75 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2224500.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.