Crystallography Open Database

Information card for entry 1569931

Preview

Coordinates	1569931.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]
Formula	C26 H32 N4 Ni O6
Calculated formula	C26 H32 N4 Ni O6
Title of publication	Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]
Authors of publication	Gaskin, Gabrielle J.; LaDuca, Robert L.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	9
Pages of publication	x230788
a	17.282 ± 0.003 Å
b	16.324 ± 0.003 Å
c	12.698 ± 0.004 Å
α	90°
β	131.754 ± 0.002°
γ	90°
Cell volume	2672.4 ± 1.1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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)	1569931.cif
286485	2023-09-23	cif/ Adding structures of 1569931 via cif-deposit CGI script.	1569931.cif