Crystallography Open Database

Information card for entry 4088098

Preview

Coordinates	4088098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H42 O8 Yb
Calculated formula	C74 H42 O8 Yb
SMILES	[Yb]1234([O](C)CC[O]1C)([O](C)CC[O]2C)([O](CC[O]3C)C)[O](C)CC[O]4C.[cH-]1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[cH-]1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties
Authors of publication	Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	23
Pages of publication	5624
a	13.268 ± 0.003 Å
b	23.619 ± 0.005 Å
c	68.846 ± 0.014 Å
α	90°
β	93.7 ± 0.03°
γ	90°
Cell volume	21530 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.1225
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.2627
Weighted residual factors for all reflections included in the refinement	0.279
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254024 (current)	2020-07-06	cif/4 Fixing Z values and formulae	4088098.cif
237263	2019-11-24	cif/ Adding structures of 4088098 via cif-deposit CGI script.	4088098.cif