Crystallography Open Database

Information card for entry 7121893

Preview

Coordinates	7121893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H51 N3 Si
Calculated formula	C33 H51 N3 Si
Title of publication	An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.
Authors of publication	Bai, Yunping; Zhang, Jianying; Cui, Chunming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	58
Pages of publication	8124 - 8127
a	12.0057 ± 0.0017 Å
b	8.9498 ± 0.0011 Å
c	15.48 ± 0.002 Å
α	90°
β	106.694 ± 0.003°
γ	90°
Cell volume	1593.2 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228117 (current)	2019-11-17	cif/ Updating files of 7121893, 7121894, 7121895, 7121896, 7121897 Original log message: Adding full bibliography for 7121893--7121897.cif.	7121893.cif
208699	2018-06-28	cif/ Adding structures of 7121893, 7121894, 7121895, 7121896, 7121897 via cif-deposit CGI script.	7121893.cif