Crystallography Open Database

Information card for entry 4510781

Preview

Coordinates	4510781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H53 Cu2 Nd2 O44
Calculated formula	C25 H5 Cu2 Nd2 O44
Title of publication	Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition
Authors of publication	Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4735
a	10.856 ± 0.002 Å
b	22.799 ± 0.005 Å
c	19.706 ± 0.004 Å
α	90°
β	99.49 ± 0.03°
γ	90°
Cell volume	4810.6 ± 1.7 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	0.0957
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.7379 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510781.cif
113163	2014-05-08	cif/ Adding structures of 4510781 via cif-deposit CGI script.	4510781.cif