Crystallography Open Database

Information card for entry 2312598

Preview

Coordinates	2312598.cif
Structure factors	2312598.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[tetraaqua[μ~4~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] [μ~2~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-κ^2^<i>O</i>:<i>O</i>']dizinc(II)] dihydrate]
Formula	C14 H12 N2 O11 Zn
Calculated formula	C14 H12 N2 O11 Zn
Title of publication	2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Authors of publication	Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	10
a	10.768 ± 0.0012 Å
b	5.0511 ± 0.0005 Å
c	29.334 ± 0.003 Å
α	90°
β	94.409 ± 0.002°
γ	90°
Cell volume	1590.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0748
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
294357 (current)	2024-09-04	cif/ hkl/ Adding structures of 2312597, 2312598 via cif-deposit CGI script.	2312598.cif 2312598.hkl