Crystallography Open Database

Information card for entry 4510789

Preview

Coordinates	4510789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H45 Cu2 O40 Pr2
Calculated formula	C25 H5 Cu2 O40 Pr2
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	10.906 ± 0.002 Å
b	20.212 ± 0.004 Å
c	19.769 ± 0.004 Å
α	90°
β	99.22 ± 0.03°
γ	90°
Cell volume	4301.4 ± 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	0.05
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7513 Å
Diffraction radiation type	synchrotron
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.	4510789.cif
113171	2014-05-08	cif/ Adding structures of 4510789 via cif-deposit CGI script.	4510789.cif