Crystallography Open Database

Information card for entry 7247502

Preview

Coordinates	7247502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 N4 O Zn2
Calculated formula	C27 H42 N4 O Zn2
SMILES	[Zn]123([O]4[Zn]56([N](=C(C=C4C=C(N1CCC[N]2(C)C)C)C)CCC[N]5(C)C)[cH]1cccc61)[cH]1cccc31
Title of publication	Homoleptic and heteroleptic ketodiiminate zinc complexes for the ROP of cyclic l-lactide
Authors of publication	Glöckler, Eduard; Kapp, Leon; Wölper, Christoph; Schumacher, Marcel; Gröschel, André H.; Schulz, Stephan
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	43
Pages of publication	29879 - 29885
a	7.9884 ± 0.0006 Å
b	8.0941 ± 0.0007 Å
c	22.3164 ± 0.0018 Å
α	98.388 ± 0.004°
β	95.725 ± 0.004°
γ	106.622 ± 0.004°
Cell volume	1352.55 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0406
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
286954 (current)	2023-10-13	cif/ Adding structures of 7247502, 7247503 via cif-deposit CGI script.	7247502.cif