Crystallography Open Database

Information card for entry 4304003

Preview

Coordinates	4304003.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex 2 (CRFTGT-1 vv)
Formula	C48 H48 Cl4 Cu4 F24 N24 O2 P4
Calculated formula	C48 H48 Cl4 Cu4 F24 N24 O2 P4
Title of publication	Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy
Authors of publication	Blanca R. Manzano; Félix A. Jalón; Isabel M. Ortiz; M. Laura Soriano; Felipe Gómez de la Torre; José Elguero; Miguel A. Maestro; Kurt Mereiter; Tim D. W. Claridge
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	413 - 428
a	16.524 ± 0.003 Å
b	16.524 ± 0.003 Å
c	29.684 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8105 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179078 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/40.	4304003.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304003.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304003.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values 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.	4304003.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304003.cif