Crystallography Open Database

Information card for entry 7229911

Preview

Coordinates	7229911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Fe N6 O8
Calculated formula	C28 H26 Fe N6 O8
SMILES	[Fe]123(OC(=O)c4[n]2c([nH]c4C(=O)O)CCC)(OC(=O)c2[n]1c([nH]c2C(=O)O)CCC)[n]1c2c(ccc1)ccc1c2[n]3ccc1
Title of publication	Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex
Authors of publication	Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	7
Pages of publication	962
a	15.276 ± 0.003 Å
b	9.993 ± 0.002 Å
c	19.942 ± 0.004 Å
α	90°
β	108.46 ± 0.03°
γ	90°
Cell volume	2887.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1177
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
229069 (current)	2019-11-17	cif/ Updating files of 7229910, 7229911 Original log message: Adding full bibliography for 7229910--7229911.cif.	7229911.cif
204962	2018-01-09	cif/ Adding structures of 7229910, 7229911 via cif-deposit CGI script.	7229911.cif