Crystallography Open Database

Information card for entry 8106242

Preview

Coordinates	8106242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N4 O4 Zn
Calculated formula	C32 H30 N4 O4 Zn
SMILES	c12ccccc1C=[N](c1ccc(cc1)/C(=N/OC)C)[Zn]1([N](=Cc3c(cccc3)O1)c1ccc(cc1)/C(=N/OC)C)O2
Title of publication	Crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}zinc(II), C32H30N4O4Zn
Authors of publication	Li, Qing-Lin; Li, Peng-Peng; Ma, Jin-Xia; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	637 - 639
a	8.6632 ± 0.0008 Å
b	12.7133 ± 0.001 Å
c	14.2719 ± 0.0012 Å
α	98.585 ± 0.003°
β	94.985 ± 0.003°
γ	92.916 ± 0.003°
Cell volume	1545.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1373
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
279541 (current)	2022-11-24	cif/ Adding structures of 8106242 via cif-deposit CGI script.	8106242.cif