Crystallography Open Database

Information card for entry 1562549

Preview

Coordinates	1562549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H40 Si2 Zr2
Calculated formula	C29 H40 Si2 Zr2
Title of publication	Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes
Authors of publication	Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	12
Pages of publication	4034 - 4050
a	8.4309 ± 0.0006 Å
b	8.6096 ± 0.0006 Å
c	10.3197 ± 0.0008 Å
α	89.1575 ± 0.0017°
β	78.2307 ± 0.0018°
γ	74.7766 ± 0.0017°
Cell volume	706.99 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0328
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266994 (current)	2021-07-05	cif/ Updating files of 1562548, 1562549, 1562550, 1562551 Original log message: Adding full bibliography for 1562548--1562551.cif.	1562549.cif
265196	2021-05-14	cif/ Adding structures of 1562548, 1562549, 1562550, 1562551 via cif-deposit CGI script.	1562549.cif