Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.
Authors of publication
Hawxwell, Samuel M; Espallargas, Guillermo Mínguez; Bradshaw, Darren; Rosseinsky, Matthew J; Prior, Timothy J; Florence, Alastair J; van de Streek, Jacco; Brammer, Lee
Journal of publication
Chemical communications (Cambridge, England)
Year of publication
Pages of publication
1532 - 1534
13.0757 ± 0.0006 Å
14.1157 ± 0.0007 Å
16.6631 ± 0.0008 Å
66.602 ± 0.001°
87.138 ± 0.001°
89.757 ± 0.001°
2818.7 ± 0.2 Å3
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
Hermann-Mauguin symmetry space group
Hall symmetry space group
Residual factor for all reflections
Residual factor for observed reflections
Weighted residual factors for the observed reflections
Weighted residual factors for all reflections included in the refinement
Goodness-of-fit parameter for observed reflections
Diffraction radiation wavelength
Diffraction radiation type
cif/ (firstname.lastname@example.org) Adding DOIs to those Chem. Comm. structure descriptions that did not have it before and that could be matched unambiguously. Unambiguously means: a) journal name is "like 'Chem%Com%'" in SQl parlour b) first author's last name is the same in COD and in PubMed b) publication year and first page are the same in COD and in PubMed database.
cif/ Adding files, upadted with the 'cif_fix_enum' program and the cif_core.dic dictionary.
The enumerator valuess were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.