Crystallography Open Database

Information card for entry 4507930

Preview

Coordinates	4507930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H72 Cl6 Cu6 Gd2 N6 O66
Calculated formula	C15 H27 Cu6 Gd2 N6 O32
Title of publication	Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect
Authors of publication	Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3429
a	13.4863 ± 0.0018 Å
b	15.176 ± 0.002 Å
c	20.111 ± 0.003 Å
α	84.901 ± 0.01°
β	76.434 ± 0.009°
γ	64.154 ± 0.009°
Cell volume	3600.6 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507930.cif
87757	2013-08-27	cif/ Adding structures of 4507930, 4507931, 4507932, 4507933, 4507934, 4507935 via cif-deposit CGI script.	4507930.cif