Crystallography Open Database

Information card for entry 4345354

Preview

Coordinates	4345354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N3 Nd O11
Calculated formula	C9 H3 N3 Nd O11
Title of publication	Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.
Authors of publication	Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2108 - 2123
a	6.0736 ± 0.0002 Å
b	10.4912 ± 0.0003 Å
c	13.579 ± 0.0004 Å
α	72.133 ± 0.003°
β	89.023 ± 0.003°
γ	89.009 ± 0.003°
Cell volume	823.33 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192919 (current)	2017-03-04	cif/ Adding structures of 4345354 via cif-deposit CGI script.	4345354.cif