Crystallography Open Database

Information card for entry 4088101

Preview

Coordinates	4088101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H67 Eu O5
Calculated formula	C68 H67 Eu O5
SMILES	[Eu]123456789([O](C)CC[O]1C)([cH]1[c]3([c]4([c]5([c]21c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[cH]1[c]6([c]7([c]8([c]19c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O(C)CCOC.O(C)CCOC
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	12.209 ± 0.0006 Å
b	20.0023 ± 0.0011 Å
c	44.869 ± 0.003 Å
α	90°
β	97.081 ± 0.002°
γ	90°
Cell volume	10873.8 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.712 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237269 (current)	2019-11-24	cif/ Adding structures of 4088101 via cif-deposit CGI script.	4088101.cif