Crystallography Open Database

Information card for entry 7049253

Preview

Coordinates	7049253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H54 Dy2 F6 N6 O12 S2
Calculated formula	C58 H54 Dy2 F6 N6 O12 S2
Title of publication	High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.
Authors of publication	Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	15
Pages of publication	4931 - 4940
a	11.1327 ± 0.0009 Å
b	11.705 ± 0.0011 Å
c	12.383 ± 0.001 Å
α	99.306 ± 0.007°
β	96.452 ± 0.007°
γ	105.332 ± 0.007°
Cell volume	1515.2 ± 0.2 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	0.0804
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
224380 (current)	2019-11-08	cif/ Updating files of 7049253, 7049254, 7049255, 7049256, 7049257, 7049258 Original log message: Adding full bibliography for 7049253--7049258.cif.	7049253.cif
214057	2019-03-09	cif/ Adding structures of 7049253, 7049254, 7049255, 7049256, 7049257, 7049258 via cif-deposit CGI script.	7049253.cif