Crystallography Open Database

Information card for entry 7128006

Preview

Coordinates	7128006.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ho(tppo)2(H2O)5Cl3 H2O
Formula	C24 H60 Cl3 Ho N6 O8 P2
Calculated formula	C24 H60 Cl3 Ho N6 O8 P2
Title of publication	Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.
Authors of publication	Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	29
Pages of publication	3607 - 3610
a	9.9663 ± 0.0003 Å
b	26.937 ± 0.0009 Å
c	30.2924 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8132.4 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
264854 (current)	2021-05-05	cif/ Updating files of 7128006, 7128007 Original log message: Adding full bibliography for 7128006--7128007.cif.	7128006.cif
262821	2021-03-07	cif/ Adding structures of 7128006, 7128007 via cif-deposit CGI script.	7128006.cif