Crystallography Open Database

Information card for entry 7226032

Preview

Coordinates	7226032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 N6 Ni2 O12
Calculated formula	C34 H38 N6 Ni2 O12
Title of publication	Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties
Authors of publication	White, Charmaine L.; LaDuca, Robert L.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	36
Pages of publication	6789
a	21.9466 ± 0.0017 Å
b	9.4061 ± 0.0007 Å
c	20.0971 ± 0.0015 Å
α	90°
β	117.266 ± 0.0008°
γ	90°
Cell volume	3687.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
187038 (current)	2016-10-08	cif/ Updating files of 7226032, 7226033 Original log message: Adding full bibliography for 7226032--7226033.cif.	7226032.cif
184656	2016-07-26	cif/ Adding structures of 7226032, 7226033 via cif-deposit CGI script.	7226032.cif