Crystallography Open Database

Information card for entry 4510784

Preview

Coordinates	4510784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H52 Cu2 O43.5 Sm2
Calculated formula	C25 H5 Cu2 O43.5 Sm2
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	10.923 ± 0.002 Å
b	22.771 ± 0.005 Å
c	19.758 ± 0.004 Å
α	90°
β	99.64 ± 0.03°
γ	90°
Cell volume	4845 ± 1.8 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	0.0684
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.7379 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510784.cif
113166	2014-05-08	cif/ Adding structures of 4510784 via cif-deposit CGI script.	4510784.cif