Crystallography Open Database

Information card for entry 1543273

Preview

Coordinates	1543273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H73 N4 Si2
Calculated formula	C54 H73 N4 Si2
Title of publication	The Si2H radical supported by two N-heterocyclic carbenes
Authors of publication	Arz, Marius I.; Schnakenburg, Gregor; Meyer, Andreas; Schiemann, Olav; Filippou, Alexander C.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	8
Pages of publication	4973
a	12.9588 ± 0.0011 Å
b	13.5352 ± 0.0009 Å
c	18.2226 ± 0.0015 Å
α	90°
β	126.432 ± 0.005°
γ	90°
Cell volume	2571.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
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	0.1885
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	0.754
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185148 (current)	2016-08-07	cif/ Updating files of 1543273 Original log message: Adding full bibliography for 1543273.cif.	1543273.cif
182844	2016-05-10	cif/ Adding structures of 1543273 via cif-deposit CGI script.	1543273.cif