Crystallography Open Database

Information card for entry 1570053

Preview

Coordinates	1570053.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],
Formula	C25 H29 N3 Ni O6
Calculated formula	C25 H29 N3 Ni O6
Title of publication	Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology
Authors of publication	Travis, Jamelah Z.; LaDuca, Robert L.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	10
Pages of publication	x230869
a	21.789 ± 0.003 Å
b	9.5494 ± 0.0012 Å
c	22.2 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4619.2 ± 1.1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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)	1570053.cif
286822	2023-10-06	cif/ Adding structures of 1570053 via cif-deposit CGI script.	1570053.cif