Crystallography Open Database

Information card for entry 1573865

Preview

Coordinates	1573865.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrakis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-hydroxido)pentanickel(II)] 2.60-hydrate]
Formula	C16 H31.2 Ni5 O20.6
Calculated formula	C16 H26 Ni5 O20.602
Title of publication	Poly[[bis(μ4-acetato-κ4 O:O:O′:O′)tetrakis(μ3-acetato-κ3 O:O:O′)bis(μ2-acetato-κ2 O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate]
Authors of publication	Pfeiffer, Maximilian; Stöger, Berthold; Weil, Matthias
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	2
Pages of publication	x250082
a	23.3025 ± 0.0011 Å
b	23.3025 ± 0.0011 Å
c	11.2648 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6116.9 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.826
Diffraction radiation probe	x-ray
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)	1573865.cif
297641	2025-02-08	cif/ Adding structures of 1573865 via cif-deposit CGI script.	1573865.cif