Crystallography Open Database

Information card for entry 4507931

Preview

Coordinates	4507931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H82 Cl6 Cu6 N6 O71 Tb2
Calculated formula	C15 H27 Cu6 N6 O32 Tb2
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	13.4763 ± 0.0008 Å
b	15.1853 ± 0.001 Å
c	20.1435 ± 0.0013 Å
α	84.725 ± 0.004°
β	76.5 ± 0.004°
γ	64.039 ± 0.004°
Cell volume	3603.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0541
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4507931.cif
87757	2013-08-27	cif/ Adding structures of 4507930, 4507931, 4507932, 4507933, 4507934, 4507935 via cif-deposit CGI script.	4507931.cif