Crystallography Open Database

Information card for entry 4514355

Preview

Coordinates	4514355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90.5 H69 F10 N4 O4.5 Zn
Calculated formula	C90.5 H69 F10 N4 O4.5 Zn
Title of publication	Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array.
Authors of publication	Nowakowska, Sylwia; Mazzola, Federico; Alberti, Mariza N.; Song, Fei; Voigt, Tobias; Nowakowski, Jan; Wäckerlin, Aneliia; Wäckerlin, Christian; Wiss, Jérôme; Schweizer, W. Bernd; Broszio, Max; Polley, Craig; Leandersson, Mats; Fatayer, Shadi; Ivas, Toni; Baljozovic, Milos; Mousavi, S. Fatemeh; Ahsan, Aisha; Nijs, Thomas; Popova, Olha; Zhang, Jun; Muntwiler, Matthias; Thilgen, Carlo; Stöhr, Meike; Pasti, Igor A.; Skorodumova, Natalia V.; Diederich, François; Wells, Justin; Jung, Thomas A.
Journal of publication	ACS nano
Year of publication	2018
Journal volume	12
Journal issue	1
Pages of publication	768 - 778
a	18.658 ± 0.003 Å
b	6.9085 ± 0.0011 Å
c	28.256 ± 0.004 Å
α	90°
β	97.233 ± 0.011°
γ	90°
Cell volume	3613.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1949
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.2708
Weighted residual factors for all reflections included in the refinement	0.306
Goodness-of-fit parameter for all reflections included in the refinement	1.554
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
206134 (current)	2018-02-04	cif/ Updating files of 4514355 Original log message: Adding full bibliography for 4514355.cif.	4514355.cif
205087	2018-01-12	cif/ Adding structures of 4514355 via cif-deposit CGI script.	4514355.cif