Crystallography Open Database

Information card for entry 7241823

Preview

Coordinates	7241823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H135 Cu12 N24 O36
Calculated formula	C114 H135 Cu12 N24 O36
Title of publication	An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers
Authors of publication	Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	1332 - 1335
a	36.336 ± 0.004 Å
b	36.336 ± 0.004 Å
c	36.336 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	47975 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262583 (current)	2021-03-05	cif/ Updating files of 7241823 Original log message: Adding full bibliography for 7241823.cif.	7241823.cif
259859	2020-12-13	cif/ Adding structures of 7241823 via cif-deposit CGI script.	7241823.cif