Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4114576
Preview
Coordinates | 4114576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H70 Br2 Cu2 N8 O20 |
---|---|
Calculated formula | C22 Br2 Cu2 N2 O14.6667 |
Title of publication | Cu2[o-Br-C6H3(CO2)2]2(H2O)2.(DMF)8(H2O)2: A Framework Deliberately Designed To Have the NbO Structure Type |
Authors of publication | Mohamed Eddaoudi; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 376 - 377 |
a | 21.607 ± 0.003 Å |
b | 21.607 ± 0.003 Å |
c | 21.607 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10087 ± 2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.1693 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.2215 |
Weighted residual factors for all reflections included in the refinement | 0.284 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114576.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114576.cif |
67906 | 2012-10-08 | cif/ Adding structures of 4114576 via cif-deposit CGI script. |
4114576.cif |
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.