Crystallography Open Database

Information card for entry 7022090

7022089 << 7022090 >> 7022091

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Coordinates	7022090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H39 B2 Nd O2
Calculated formula	C18 H39 B2 Nd O2
Title of publication	Tuning the catalytic properties of rare earth borohydrides for the polymerisation of isoprene.
Authors of publication	Bonnet, Fanny; Jones, Chloe E.; Semlali, Sanaa; Bria, Marc; Roussel, Pascal; Visseaux, Marc; Arnold, Polly L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	3
Pages of publication	790 - 801
a	8.611 ± 0.001 Å
b	17.348 ± 0.0003 Å
c	14.9131 ± 0.0003 Å
α	90°
β	105.06 ± 0.001°
γ	90°
Cell volume	2151.3 ± 0.3 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	0.0334
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022090.cif
89972	2013-11-17	cif/ Adding structures of 7022089, 7022090 via cif-deposit CGI script.	7022090.cif