Crystallography Open Database

Information card for entry 7203234

7203233 << 7203234 >> 7203235

Preview

Coordinates	7203234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Ag N5 O5 S2
Calculated formula	C28 H28 Ag N5 O5 S2
Title of publication	Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation
Authors of publication	Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	119
a	18.2449 ± 0.0009 Å
b	16.2679 ± 0.0008 Å
c	18.9904 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5636.5 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for all reflections	0.0779
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	0.9004
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203234.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203234.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203234.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.	7203234.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203234.cif