Crystallography Open Database

Information card for entry 7713261

Preview

Coordinates	7713261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H144 N7 O3 Yb
Calculated formula	C87 H144 N7 O3 Yb
SMILES	[Yb]123456Oc7c(C=[N]5CC[N]4(CC[N]1=Cc1cc(C)cc(/C=N/CCCCCCCCCCCCCCCCCC)c1O2)CC[N]6=Cc1c(O3)c(/C=N/CCCCCCCCCCCCCCCCCC)cc(C)c1)cc(cc7/C=N/CCCCCCCCCCCCCCCCCC)C
Title of publication	Long aliphatic chain derivatives of trigonal lanthanide complexes.
Authors of publication	Zhou, Yiwei; Buch, Christian D.; Hansen, Steen H.; Piligkos, Stergios
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	25
Pages of publication	8792 - 8799
a	12.4294 ± 0.0008 Å
b	12.4635 ± 0.0008 Å
c	30.023 ± 0.002 Å
α	91.216 ± 0.002°
β	98.672 ± 0.002°
γ	115.93 ± 0.002°
Cell volume	4115 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0539
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
284611 (current)	2023-06-29	cif/ Adding structures of 7713261 via cif-deposit CGI script.	7713261.cif