Crystallography Open Database

Information card for entry 1558055

Preview

Coordinates	1558055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N4
Calculated formula	C16 H12 N4
Title of publication	Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.
Authors of publication	Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	21
Pages of publication	11601 - 11611
a	7.963 ± 0.002 Å
b	8.349 ± 0.002 Å
c	9.742 ± 0.002 Å
α	90°
β	111.776 ± 0.004°
γ	90°
Cell volume	601.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0696
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252855 (current)	2020-06-05	cif/ Updating files of 1558055, 1558056, 1558057 Original log message: Adding full bibliography for 1558055--1558057.cif.	1558055.cif
252043	2020-05-14	cif/ Adding structures of 1558055, 1558056, 1558057 via cif-deposit CGI script.	1558055.cif