Crystallography Open Database

Information card for entry 7049256

Preview

Coordinates	7049256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 Cl4 Dy2 N12 O4
Calculated formula	C42 H40 Cl4 Dy2 N12 O4
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	20.3353 ± 0.0012 Å
b	15.0093 ± 0.0013 Å
c	15.7056 ± 0.0009 Å
α	90°
β	106.012 ± 0.006°
γ	90°
Cell volume	4607.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.082
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7049256.cif
214057	2019-03-09	cif/ Adding structures of 7049253, 7049254, 7049255, 7049256, 7049257, 7049258 via cif-deposit CGI script.	7049256.cif