Crystallography Open Database

Information card for entry 7229753

Preview

Coordinates	7229753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H95 Cu Er3 F66 N8 O34
Calculated formula	C119 H95 Cu Er3 F66 N8 O34
Title of publication	Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties
Authors of publication	Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	4
Pages of publication	420
a	19.923 ± 0.004 Å
b	19.96 ± 0.004 Å
c	21.718 ± 0.004 Å
α	90.187 ± 0.002°
β	107.28 ± 0.002°
γ	114.422 ± 0.002°
Cell volume	7429 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0752
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
228993 (current)	2019-11-17	cif/ Updating files of 7229746, 7229747, 7229748, 7229749, 7229750, 7229751, 7229752, 7229753 Original log message: Adding full bibliography for 7229746--7229753.cif.	7229753.cif
204281	2017-12-15	cif/ Adding structures of 7229746, 7229747, 7229748, 7229749, 7229750, 7229751, 7229752, 7229753 via cif-deposit CGI script.	7229753.cif