Crystallography Open Database

Information card for entry 7229246

Preview

Coordinates	7229246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H40 F36 Gd2 N8 O16
Calculated formula	C58 H40 F36 Gd2 N8 O16
Title of publication	Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals
Authors of publication	Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	72
Pages of publication	45504
a	12.0292 ± 0.0004 Å
b	24.1953 ± 0.0012 Å
c	12.9431 ± 0.0005 Å
α	90°
β	100.293 ± 0.004°
γ	90°
Cell volume	3706.5 ± 0.3 Å³
Cell temperature	110.5 ± 0.2 K
Ambient diffraction temperature	110.5 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
201256 (current)	2017-09-25	cif/ Adding structures of 7229243, 7229244, 7229245, 7229246 via cif-deposit CGI script.	7229246.cif