Crystallography Open Database

Information card for entry 7127109

Preview

Coordinates	7127109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H66 N3 O14 P4 Yb
Calculated formula	C74 H60 N3 O14 P4 Yb
Title of publication	Enhancing the barrier height for Yb(III) single-ion magnets by modulating axial ligand fields.
Authors of publication	Borah, Aditya; Dey, Sourav; Gupta, Sandeep K.; Walawalkar, Mrinalini G.; Rajaraman, Gopalan; Murugavel, Ramaswamy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11879 - 11882
a	15.9815 ± 0.0004 Å
b	16.5996 ± 0.0003 Å
c	26.6002 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7056.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
260640 (current)	2021-01-07	cif/ Updating files of 7127109, 7127110, 7127111 Original log message: Adding full bibliography for 7127109--7127111.cif.	7127109.cif
255633	2020-08-26	cif/ Adding structures of 7127109, 7127110, 7127111 via cif-deposit CGI script.	7127109.cif