Crystallography Open Database

Information card for entry 8107183

Preview

Coordinates	8107183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 N4 O4 Zn
Calculated formula	C40 H46 N4 O4 Zn
SMILES	[Zn]12(Oc3c(cccc3C(C)(C)C)C=[N]1c1ccc(cc1)C(=N\OC)\C)[N](=Cc1c(O2)c(ccc1)C(C)(C)C)c1ccc(cc1)C(=N\OC)\C
Title of publication	Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}zinc(II), C40H46N4O4Zn
Authors of publication	Zhao, Ji-Xing; Wu, Lei-Fang; Chen, Da-Qun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	667 - 669
a	12.0198 ± 0.0004 Å
b	28.0212 ± 0.0009 Å
c	12.0655 ± 0.0004 Å
α	90°
β	110.727 ± 0.002°
γ	90°
Cell volume	3800.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
283712 (current)	2023-05-12	cif/ Adding structures of 8107183 via cif-deposit CGI script.	8107183.cif