Crystallography Open Database

Information card for entry 1561794

Preview

Coordinates	1561794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Cu2 N5 O14
Calculated formula	C29 H35 Cu2 N5 O14
Title of publication	Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal
Authors of publication	Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	230
Pages of publication	191 - 198
a	11.4795 ± 0.0001 Å
b	8.8862 ± 0.0001 Å
c	15.9648 ± 0.0001 Å
α	90°
β	93.708 ± 0.001°
γ	90°
Cell volume	1625.15 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
264188 (current)	2021-04-15	cif/ Adding structures of 1561794, 1561795 via cif-deposit CGI script.	1561794.cif