Crystallography Open Database

Information card for entry 1569933

Preview

Coordinates	1569933.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ^2^<i>N</i>:<i>N</i>'][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>^2^]zinc(II)] 2.5 hydrate]
Formula	C26 H27 N4 O8.5 Zn
Calculated formula	C26 H27 N4 O8.5 Zn
Title of publication	Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ2 N:N′][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ2 O:O 2]zinc(II)] 2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based six-connected pcu topology
Authors of publication	Glatz, Erika J.; LaDuca, Robert L.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	9
Pages of publication	x230811
a	9.7753 ± 0.0007 Å
b	11.2349 ± 0.0008 Å
c	12.6422 ± 0.0009 Å
α	90.946 ± 0.001°
β	111.5 ± 0.001°
γ	94.586 ± 0.001°
Cell volume	1286.11 ± 0.16 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0498
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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)	1569933.cif
286487	2023-09-23	cif/ Adding structures of 1569933 via cif-deposit CGI script.	1569933.cif