Crystallography Open Database

Information card for entry 7022089

7022088 << 7022089 >> 7022090

Preview

Coordinates	7022089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H102 B12 Nd6
Calculated formula	C72 H102 B12 Nd6
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	15.979 ± 0.004 Å
b	16.381 ± 0.004 Å
c	21.702 ± 0.006 Å
α	90.181 ± 0.005°
β	109.502 ± 0.005°
γ	119.054 ± 0.005°
Cell volume	4586 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for significantly intense reflections	1.46
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7022089.cif
89972	2013-11-17	cif/ Adding structures of 7022089, 7022090 via cif-deposit CGI script.	7022089.cif