Crystallography Open Database

Information card for entry 7717075

Preview

Coordinates	7717075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 Cl2 Dy N3 O
Calculated formula	C28 H42 Cl2 Dy N3 O
Title of publication	Enhancing the magnetic properties of Dy(III) single-molecule magnets in octahedral coordination symmetry by tuning the equatorial ligands.
Authors of publication	Peng, Xiao-Han; Shang, Tao; Zheng, Jieyu; Liu, Ming; Zheng, Qi; Guo, Fu-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16709 - 16715
a	8.8925 ± 0.0007 Å
b	18.1625 ± 0.0016 Å
c	18.746 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3027.7 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296587 (current)	2024-12-06	cif/ Updating files of 7717075, 7717076 Original log message: Adding full bibliography for 7717075--7717076.cif.	7717075.cif
294859	2024-09-24	cif/ Adding structures of 7717075, 7717076 via cif-deposit CGI script.	7717075.cif