Crystallography Open Database

Information card for entry 7058286

Preview

Coordinates	7058286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H72 Ho4 N12 O20
Calculated formula	C64 H72 Ho4 N12 O20
Title of publication	A series of [2 ×2] square grid LnIII4 clusters: a large magnetocaloric effect and single-molecule-magnet behavior
Authors of publication	Wang, Wen-Min; Li, Xian-Zhen; Zhang, Li; Chen, Jia-Li; Wang, Jun-Hua; Wu, Zhi-Lei; Cui, Jian-Zhong
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	19
Pages of publication	7419
a	28.1973 ± 0.001 Å
b	8.4679 ± 0.0003 Å
c	30.3722 ± 0.001 Å
α	90°
β	110.346 ± 0.0011°
γ	90°
Cell volume	6799.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7058286.html