Crystallography Open Database

Information card for entry 4129019

Preview

Coordinates	4129019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43.44 N3 Si3 V
Calculated formula	C27 H43.45 N3 Si3 V
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	10.8649 ± 0.0009 Å
b	12.4225 ± 0.001 Å
c	13.0617 ± 0.0011 Å
α	115.202 ± 0.004°
β	96.239 ± 0.004°
γ	96.088 ± 0.004°
Cell volume	1562.8 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
222026 (current)	2019-11-03	cif/ Adding structures of 4129019 via cif-deposit CGI script.	4129019.cif