Crystallography Open Database

Information card for entry 4349642

Preview

Coordinates	4349642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Co N2 P4 Te4
Calculated formula	C24 H56 Co N2 P4 Te4
SMILES	[Te]1[Co]2([Te]=P(N=P1(C(C)C)C(C)C)(C(C)C)C(C)C)[Te]=P(N=P([Te]2)(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Enhanced magnetic anisotropy in a tellurium-coordinated cobalt single-ion magnet
Authors of publication	Yao, Xiao-Nan; Yang, Mu-Wen; Xiong, Jin; Liu, Jia-Jia; Gao, Chen; Meng, Yin-Shan; Jiang, Shang-Da; Wang, Bing-Wu; Gao, Song
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	4
Pages of publication	701
a	9.9483 ± 0.0004 Å
b	13.4578 ± 0.0005 Å
c	16.0323 ± 0.0007 Å
α	95.538 ± 0.003°
β	104.577 ± 0.004°
γ	110.282 ± 0.004°
Cell volume	1908.21 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
276323 (current)	2022-06-28	cif/4/34/96/ Removed the '_chemical_name_systematic' and '_chemical_name_common' data items that had incorrect values from entry 4349642.	4349642.cif
234940	2019-11-23	cif/ Adding structures of 4349642 via cif-deposit CGI script.	4349642.cif