Crystallography Open Database

Information card for entry 1562548

Preview

Coordinates	1562548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 N2 Si2 Zr2
Calculated formula	C33 H50 N2 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	16.1662 ± 0.0015 Å
b	12.7556 ± 0.0012 Å
c	16.3557 ± 0.0015 Å
α	90°
β	96.7815 ± 0.0018°
γ	90°
Cell volume	3349.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
266994 (current)	2021-07-05	cif/ Updating files of 1562548, 1562549, 1562550, 1562551 Original log message: Adding full bibliography for 1562548--1562551.cif.	1562548.cif
265196	2021-05-14	cif/ Adding structures of 1562548, 1562549, 1562550, 1562551 via cif-deposit CGI script.	1562548.cif