Crystallography Open Database

Information card for entry 4519392

4519391 << 4519392 >> 4519393

Preview

Coordinates	4519392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H59 Cl2 Co N4 O2 Zn
Calculated formula	C53 H59 Cl2 Co N4 O2 Zn
SMILES	[Zn]1(Oc2ccccc2)(N(N=C(c2ccc(C)cc2)N=[N]1c1ccccc1)c1ccccc1)Oc1ccccc1.[Co]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl
Title of publication	Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand
Authors of publication	de Vries, Folkert; Otten, Edwin
Journal of publication	ACS Catalysis
Year of publication	2022
Journal volume	12
Journal issue	7
Pages of publication	4125 - 4130
a	10.7552 ± 0.0003 Å
b	11.5789 ± 0.0003 Å
c	21.0514 ± 0.0005 Å
α	103.464 ± 0.001°
β	93.118 ± 0.001°
γ	103.01 ± 0.001°
Cell volume	2468.27 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274248 (current)	2022-04-03	cif/ Adding structures of 4519392 via cif-deposit CGI script.	4519392.cif