Crystallography Open Database

Information card for entry 4088137

Preview

Coordinates	4088137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H37 B2 O3 Sm
Calculated formula	C15 H37 B2 O3 Sm
Title of publication	Mixed Allyl‒Borohydride Lanthanide Complexes: Synthesis of Ln(BH4)2(C3H5)(THF)3 (Ln = Nd, Sm), Characterization, and Reactivity toward Polymerization
Authors of publication	Fadlallah, Sami; Terrier, Michaël; Jones, Chloe; Roussel, Pascal; Bonnet, Fanny; Visseaux, Marc
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	456
a	9.6926 ± 0.0007 Å
b	13.7986 ± 0.0009 Å
c	14.8066 ± 0.0011 Å
α	90°
β	91.771 ± 0.004°
γ	90°
Cell volume	1979.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0409
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for significantly intense reflections	2.2
Goodness-of-fit parameter for all reflections included in the refinement	2.08
Diffraction radiation probe	x-ray
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
237308 (current)	2019-11-24	cif/ Adding structures of 4088137 via cif-deposit CGI script.	4088137.cif