Crystallography Open Database

Information card for entry 7226001

Preview

Coordinates	7226001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H46 N4 O Si3 Zr
Calculated formula	C19 H46 N4 O Si3 Zr
SMILES	[Zr]1234N([Si](C4)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C.O1CCCC1
Title of publication	Triamidoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity, and rac-Lactide Polymerization
Authors of publication	Leshinski, Sarah; Wheaton, Craig; Sun, Hongsui; Roering, Andrew J.; Tanski, Joseph M.; Fox, Daniel J.; Hayes, Paul G.; Waterman, Rory
Journal of publication	RSC Adv.
Year of publication	2016
a	16.492 ± 0.003 Å
b	9.8668 ± 0.0016 Å
c	17.009 ± 0.003 Å
α	90°
β	101.909 ± 0.002°
γ	90°
Cell volume	2708.2 ± 0.8 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
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	0.0408
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
184580 (current)	2016-07-21	cif/ Adding structures of 7226001 via cif-deposit CGI script.	7226001.cif