Crystallography Open Database

Information card for entry 1550203

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Coordinates	1550203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H112 Ag8 B8 F32 N48 O16
Calculated formula	C80 H112 Ag8 B6 F24 N48 O16
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	21.799 ± 0.0011 Å
b	22.6096 ± 0.0015 Å
c	26.0615 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	12844.8 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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