Crystallography Open Database

Information card for entry 7058079

Preview

Coordinates	7058079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 N Nd2 O21.5
Calculated formula	C21 H24 N Nd2 O21.5
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	10.3164 ± 0.0002 Å
b	21.2432 ± 0.0005 Å
c	15.6712 ± 0.0003 Å
α	90°
β	94.213 ± 0.002°
γ	90°
Cell volume	3425.12 ± 0.12 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	0.0397
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7058079.cif
212976	2019-01-11	cif/ Adding structures of 7058075, 7058076, 7058077, 7058078, 7058079 via cif-deposit CGI script.	7058079.cif