Crystallography Open Database

Information card for entry 1519688

1519687 << 1519688 >> 1519689

Preview

Coordinates	1519688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H31 Eu F18 O8 P2 Ru
Calculated formula	C49 H31 Eu F18 O8 P2 Ru
SMILES	[Eu]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)([c]15[Ru]6789%10%11%12([cH]([cH]6[cH]17)[cH]58)[cH]1[cH]9[c]%10(P(=[O]2)(c2ccccc2)c2ccccc2)[cH]%11[cH]%121)c1ccccc1)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)C(F)(F)F)C(F)(F)F
Title of publication	Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units.
Authors of publication	Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji
Journal of publication	The journal of physical chemistry. A
Year of publication	2015
Journal volume	119
Journal issue	20
Pages of publication	4825 - 4833
a	13.2288 ± 0.0008 Å
b	15.9521 ± 0.0009 Å
c	25.7223 ± 0.0015 Å
α	89.205 ± 0.002°
β	78.7105 ± 0.0018°
γ	85.587 ± 0.002°
Cell volume	5307.3 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.2715
Weighted residual factors for all reflections included in the refinement	0.2779
Goodness-of-fit parameter for all reflections included in the refinement	1.616
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
138289 (current)	2015-06-05	cif/ Updating files of 1519687, 1519688 Original log message: Adding full bibliography for 1519687--1519688.cif.	1519688.cif
136822	2015-05-18	cif/ Adding structures of 1519688 via cif-deposit CGI script.	1519688.cif