Crystallography Open Database

Information card for entry 1570154

Preview

Coordinates	1570154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 Au Cl N10 O11 S2
Calculated formula	C20 H30 Au Cl N10 O11 S2
SMILES	[Au](Sc1nc(N)nc2n([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)cnc12)Sc1nc(N)nc2n([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)cnc12.[Cl-].O.O.O
Title of publication	Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)<sub>2</sub>]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.
Authors of publication	McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	43
Pages of publication	8386 - 8402
a	7.3414 ± 0.0003 Å
b	13.5389 ± 0.0005 Å
c	14.84 ± 0.0006 Å
α	90°
β	101.962 ± 0.004°
γ	90°
Cell volume	1442.98 ± 0.1 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288912 (current)	2024-01-06	cif/ Updating files of 1570154 Original log message: Adding full bibliography for 1570154.cif.	1570154.cif
287044	2023-10-20	cif/ Adding structures of 1570154 via cif-deposit CGI script.	1570154.cif