Crystallography Open Database

Information card for entry 1571038

Preview

Coordinates	1571038.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]
Formula	C30 H30 N6 O10 Zn2
Calculated formula	C30 H30 N6 O10 Zn2
SMILES	c1cccc2[n]1[Zn]13([N](O)=C2c2cccc[n]2[Zn]24([n]5ccccc5C(c5cccc[n]35)=[N]2O)([O]=C(O4)C)OC(=O)C)([O]=C(O1)C)OC(=O)C
Title of publication	Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]
Authors of publication	Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	2
Pages of publication	x240122
a	8.3549 ± 0.0007 Å
b	9.3366 ± 0.0008 Å
c	12.3971 ± 0.0007 Å
α	69.409 ± 0.007°
β	75.524 ± 0.006°
γ	65.217 ± 0.008°
Cell volume	815.89 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0552
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1571038.cif
289863	2024-02-17	cif/ Adding structures of 1571038 via cif-deposit CGI script.	1571038.cif