Crystallography Open Database

Information card for entry 8106151

Preview

Coordinates	8106151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N2 O8 Zn
Calculated formula	C34 H24 N2 O8 Zn
SMILES	COc1ccc2c(c1)O[Zn]1([N](=C2)c2cc3ccc(=O)oc3cc2)[N](=Cc2ccc(cc2O1)OC)c1ccc2c(ccc(=O)o2)c1
Title of publication	Crystal structure of bis{5-methoxy-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2 N,O}zinc(II), C34H24N2O8Zn
Authors of publication	Zhang, Ping; Wang, Yan-Bin; Su, Qiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	355 - 357
a	9.1202 ± 0.0006 Å
b	12.2985 ± 0.0008 Å
c	12.9973 ± 0.0009 Å
α	83.799 ± 0.002°
β	76.063 ± 0.002°
γ	81.385 ± 0.002°
Cell volume	1395.02 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0354
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
279385 (current)	2022-11-18	cif/ Adding structures of 8106151 via cif-deposit CGI script.	8106151.cif