Crystallography Open Database

Information card for entry 8105020

Preview

Coordinates	8105020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 F2 N4 O5 Zn
Calculated formula	C33 H32 F2 N4 O5 Zn
SMILES	c12cc(ccc1C=[N](c1ccc(cc1)/C(=N/OC)C)[Zn]1([N](=Cc3c(cc(cc3)F)O1)c1ccc(cc1)C(=N\OC)\C)O2)F.CO
Title of publication	Synthesis and crystal structure of bis(2-(((4-(1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-fluorophenolato-κ2N,O)zinc(II) - methanol (1/1), C33H32F2N4O4Zn
Authors of publication	Zhao, Ji-Xing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	69 - 71
a	9.5132 ± 0.0005 Å
b	13.0781 ± 0.0006 Å
c	14.0448 ± 0.0006 Å
α	63.095 ± 0.001°
β	73.564 ± 0.001°
γ	78.87 ± 0.002°
Cell volume	1490.24 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
274322 (current)	2022-04-04	cif/ Adding structures of 8105020 via cif-deposit CGI script.	8105020.cif