Crystallography Open Database

Information card for entry 4129020

Preview

Coordinates	4129020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 N3 Si2 V
Calculated formula	C29 H37 N3 Si2 V
SMILES	[V]12(C[Si](C)(C)C)(C[Si](C)(C)C)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
Title of publication	Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.
Authors of publication	Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	38
Pages of publication	15230 - 15239
a	15.9192 ± 0.0011 Å
b	9.2597 ± 0.0005 Å
c	19.7266 ± 0.0012 Å
α	90°
β	91.164 ± 0.003°
γ	90°
Cell volume	2907.2 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0842
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
222027 (current)	2019-11-03	cif/ Adding structures of 4129020 via cif-deposit CGI script.	4129020.cif