Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1100722
Preview
Coordinates | 1100722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H15 Cl4 Fe4 N3 O17 |
---|---|
Calculated formula | C33 H15 Cl3.999 Fe4 N3 O17 |
Title of publication | Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology |
Authors of publication | Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 2998 - 3000 |
a | 12.531 ± 0.003 Å |
b | 12.531 ± 0.003 Å |
c | 18.476 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2512.5 ± 1.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 190 |
Hermann-Mauguin space group symbol | P -6 2 c |
Hall space group symbol | P -6c -2c |
Residual factor for all reflections | 0.1241 |
Residual factor for significantly intense reflections | 0.1044 |
Weighted residual factors for significantly intense reflections | 0.2454 |
Weighted residual factors for all reflections included in the refinement | 0.255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1100722.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100722.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100722.cif |
1523 | 2010-09-25 | cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated. |
1100722.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100722.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100722.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100722.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100722.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100722.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.