Crystallography Open Database

Information card for entry 7058077

Preview

Coordinates	7058077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30.67 N2 O22.33 Pr2
Calculated formula	C24 H30.6666 N2 O22.3333 Pr2
Title of publication	2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding
Authors of publication	Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	5
Pages of publication	2179
a	10.3281 ± 0.0001 Å
b	21.1366 ± 0.0003 Å
c	15.6427 ± 0.0002 Å
α	90°
β	93.925 ± 0.001°
γ	90°
Cell volume	3406.81 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0424
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224774 (current)	2019-11-08	cif/ Updating files of 7058075, 7058076, 7058077, 7058078, 7058079 Original log message: Adding full bibliography for 7058075--7058079.cif.	7058077.cif
212976	2019-01-11	cif/ Adding structures of 7058075, 7058076, 7058077, 7058078, 7058079 via cif-deposit CGI script.	7058077.cif