Crystallography Open Database

Information card for entry 7059180

Preview

Coordinates	7059180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H66 Gd2 N4 O16
Calculated formula	C78 H66 Gd2 N4 O16
Title of publication	Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes
Authors of publication	Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	5
Pages of publication	2083 - 2090
a	17.807 ± 0.0007 Å
b	22.4931 ± 0.001 Å
c	17.8019 ± 0.0008 Å
α	90°
β	94.419 ± 0.001°
γ	90°
Cell volume	7109.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.072
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
257709 (current)	2020-10-06	cif/ Updating files of 7059180, 7059181, 7059182 Original log message: Adding full bibliography for 7059180--7059182.cif.	7059180.cif
247778	2020-02-04	cif/ Updating files of 7059180, 7059181, 7059182 Original log message: Adding full bibliography for 7059180--7059182.cif.	7059180.cif
246305	2019-12-30	cif/ Adding structures of 7059180, 7059181, 7059182 via cif-deposit CGI script.	7059180.cif