Crystallography Open Database

Information card for entry 4510786

Preview

Coordinates	4510786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 Cu2 O39 Sm2
Calculated formula	C25 H5 Cu2 O39 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	10.899 ± 0.002 Å
b	20.334 ± 0.004 Å
c	19.785 ± 0.004 Å
α	90°
β	99.48 ± 0.03°
γ	90°
Cell volume	4324.9 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0595
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.73833 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.	4510786.cif
113168	2014-05-08	cif/ Adding structures of 4510786 via cif-deposit CGI script.	4510786.cif