Crystallography Open Database

Information card for entry 7053599

Preview

Coordinates	7053599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H42 B Nd O Si
Calculated formula	C37.5 H42 B Nd O Si
Title of publication	Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation
Authors of publication	Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	10
Pages of publication	2290
a	9.198 ± 0.001 Å
b	11.563 ± 0.001 Å
c	15.325 ± 0.001 Å
α	97.919 ± 0.001°
β	93.629 ± 0.001°
γ	93.853 ± 0.001°
Cell volume	1606.4 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053599.cif
93732	2014-01-13	cif/ Adding structures of 7053594, 7053595, 7053596, 7053597, 7053598, 7053599, 7053600 via cif-deposit CGI script.	7053599.cif