Crystallography Open Database

Information card for entry 4088136

Preview

Coordinates	4088136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H37 B2 Nd O3
Calculated formula	C15 H37 B2 Nd O3
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	9.7322 ± 0.0004 Å
b	13.8301 ± 0.0005 Å
c	14.8354 ± 0.0006 Å
α	90°
β	90.72 ± 0.002°
γ	90°
Cell volume	1996.65 ± 0.14 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	0.0488
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for significantly intense reflections	2.7
Goodness-of-fit parameter for all reflections included in the refinement	2.52
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
237306 (current)	2019-11-24	cif/ Adding structures of 4088136 via cif-deposit CGI script.	4088136.cif