Crystallography Open Database

Information card for entry 7060226

Preview

Coordinates	7060226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H51 Cl6 Dy N3 O12 P3
Calculated formula	C72 H51 Cl6 Dy N3 O12 P3
Title of publication	Observation of field-induced single-ion magnet behavior in an octahedral dysprosium complex with a strong ligand field
Authors of publication	Zhang, Chunyang; Liu, Mengyao; Cai, Xingwei; Chen, Lei; Liu, Yuan-Zhong; Cui, Huihui; Zhang, Shao-Liang; Yuan, Aihua
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	5
Pages of publication	2404 - 2409
a	12.3202 ± 0.0002 Å
b	15.2533 ± 0.0003 Å
c	20.1701 ± 0.0004 Å
α	88.56 ± 0.001°
β	74.88 ± 0.001°
γ	76.917 ± 0.001°
Cell volume	3561.92 ± 0.12 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	0.0906
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
262677 (current)	2021-03-05	cif/ Updating files of 7060226 Original log message: Adding full bibliography for 7060226.cif.	7060226.cif
260382	2021-01-03	cif/ Adding structures of 7060226 via cif-deposit CGI script.	7060226.cif