Crystallography Open Database

Information card for entry 1550202

Preview

Coordinates	1550202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H158 Ag10 N70 O60
Calculated formula	C100 H138 Ag10 N68 O44
Title of publication	Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires
Authors of publication	Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel
Journal of publication	Chemical Science
Year of publication	2019
a	25.5741 ± 0.0016 Å
b	26.2813 ± 0.0017 Å
c	24.8077 ± 0.0018 Å
α	90°
β	110.412 ± 0.002°
γ	90°
Cell volume	15626.8 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1623
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.216
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
211862 (current)	2018-11-09	cif/ Adding structures of 1550202, 1550203, 1550204 via cif-deposit CGI script.	1550202.cif