Crystallography Open Database

Information card for entry 7712481

Preview

Coordinates	7712481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H54 Dy N5 O Si3
Calculated formula	C33 H54 Dy N5 O Si3
SMILES	[Dy]123([O]=N(C)(C)C)[N](Cc4c(N2[Si](C)(C)C)cccc4)(Cc2c(N3[Si](C)(C)C)cccc2)Cc2c(N1[Si](C)(C)C)cccc2
Title of publication	Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.
Authors of publication	Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2703 - 2711
a	10.176 ± 0.002 Å
b	19.387 ± 0.006 Å
c	20.093 ± 0.005 Å
α	90°
β	102.988 ± 0.009°
γ	90°
Cell volume	3862.6 ± 1.7 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
281203 (current)	2023-03-01	cif/ Adding structures of 7712479, 7712480, 7712481 via cif-deposit CGI script.	7712481.cif