Crystallography Open Database

Information card for entry 7712480

Preview

Coordinates	7712480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H50 Dy N5 Si3
Calculated formula	C35 H50 Dy N5 Si3
SMILES	[Dy]123(N([Si](C)(C)C)c4c(C[N]1(Cc1ccccc1N2[Si](C)(C)C)Cc1c(N3[Si](C)(C)C)cccc1)cccc4)[n]1ccccc1
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	15.7628 ± 0.0005 Å
b	12.1123 ± 0.0004 Å
c	19.7909 ± 0.0007 Å
α	90°
β	91.746 ± 0.002°
γ	90°
Cell volume	3776.8 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
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	0.0394
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7712480.cif