Crystallography Open Database

Information card for entry 4118776

Preview

Coordinates	4118776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H59 B N2 O2 P2 Si2 Yb
Calculated formula	C39 H59 B N2 O2 P2 Si2 Yb
SMILES	C1=P(c2ccccc2)(c2ccccc2)N([Si](C)(C)C)[Yb]([H][BH3])([N]([Si](C)(C)C)=P1(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
Title of publication	[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies
Authors of publication	Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16983 - 16986
a	10.104 ± 0.002 Å
b	11.976 ± 0.002 Å
c	18.965 ± 0.004 Å
α	79.88 ± 0.03°
β	89.61 ± 0.03°
γ	70.33 ± 0.03°
Cell volume	2123.9 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4118776.cif
76334	2013-03-17	cif/ Adding structures of 4118776 via cif-deposit CGI script.	4118776.cif