Crystallography Open Database

Information card for entry 1570038

Preview

Coordinates	1570038.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]
Formula	C26 H30 Cu N4 O5
Calculated formula	C26 H28 Cu N4 O5
Title of publication	Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks
Authors of publication	Gaskin, Gabrielle J.; LaDuca, Robert L.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	10
a	18.402 ± 0.002 Å
b	33.377 ± 0.004 Å
c	17.963 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11033 ± 2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.2709
Weighted residual factors for all reflections included in the refinement	0.3024
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
286652 (current)	2023-10-04	cif/ Adding structures of 1570038 via cif-deposit CGI script.	1570038.cif