Crystallography Open Database

Information card for entry 4086169

Preview

Coordinates	4086169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 N4 Zn
Calculated formula	C22 H32 N4 Zn
SMILES	[Zn]123([n]4n(c(cc4C)C)C(n4[n]1c(cc4C)C)C(C12[CH]3=CC=C1)C(C)(C)C)C
Title of publication	New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides
Authors of publication	Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3196
a	9.713 ± 0.001 Å
b	9.954 ± 0.0009 Å
c	12.261 ± 0.0017 Å
α	86.772 ± 0.007°
β	82.268 ± 0.007°
γ	67.212 ± 0.006°
Cell volume	1083 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
152776 (current)	2015-08-05	cif/ Adding structures of 4086167, 4086168, 4086169 via cif-deposit CGI script.	4086169.cif