Crystallography Open Database

Information card for entry 4347706

Preview

Coordinates	4347706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H116 Dy4 N28 O36
Calculated formula	C94 H72 Dy4 N28 O36
Title of publication	Metallogrid Single-Molecule Magnet: Solvent-Induced Nuclearity Transformation and Magnetic Hysteresis at 16 K.
Authors of publication	Huang, Wei; Shen, Fu-Xing; Wu, Shu-Qi; Liu, Li; Wu, Dayu; Zheng, Zhe; Xu, Jun; Zhang, Ming; Huang, Xing-Cai; Jiang, Jun; Pan, Feifei; Li, Yao; Zhu, Kun; Sato, Osamu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5476 - 5484
a	11.112 ± 0.007 Å
b	36.81 ± 0.02 Å
c	61.22 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	25041 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1613
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2635
Weighted residual factors for all reflections included in the refinement	0.3083
Goodness-of-fit parameter for all reflections included in the refinement	1
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
232455 (current)	2019-11-23	cif/ Adding structures of 4347705, 4347706 via cif-deposit CGI script.	4347706.cif