Crystallography Open Database

Information card for entry 7203233

7203232 << 7203233 >> 7203234

Preview

Coordinates	7203233.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AgBF4rev2
Formula	C28 H28 Ag B F4 N4 O2 S2
Calculated formula	C28 H28 Ag B F4 N4 O2 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	18.309 ± 0.003 Å
b	16.716 ± 0.003 Å
c	18.722 ± 0.003 Å
α	90°
β	91.812 ± 0.003°
γ	90°
Cell volume	5727.1 ± 1.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2219
Residual factor for significantly intense reflections	0.1685
Weighted residual factors for significantly intense reflections	0.3604
Weighted residual factors for all reflections included in the refinement	0.3801
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203233.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203233.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203233.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203233.cif