Crystallography Open Database

Information card for entry 4086387

Preview

Coordinates	4086387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H38 N4 O2 Zn2
Calculated formula	C29 H38 N4 O2 Zn2
SMILES	[Zn]12([O]3[Zn]([n]4n(c(cc4C)C)C(n4[n]1c(cc4C)C)C3c1ccc(cc1)C)([O]2c1c(cccc1C)C)C)C
Title of publication	Copolymerization of Cyclic Esters Controlled by Chiral NNO-Scorpionate Zinc Initiators
Authors of publication	Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	189
a	21.5189 ± 0.0003 Å
b	14.2214 ± 0.0002 Å
c	9.8028 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2999.94 ± 0.09 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
175810 (current)	2016-02-04	cif/ Updating files of 4086386, 4086387 Original log message: Adding full bibliography for 4086386--4086387.cif.	4086387.cif
173508	2016-01-06	cif/ Adding structures of 4086386, 4086387 via cif-deposit CGI script.	4086387.cif