Crystallography Open Database

Information card for entry 7040747

Preview

Coordinates	7040747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H228 N48 Ni16 O72 S4
Calculated formula	C126 H208 N48 Ni16 O72 S4
Title of publication	In search of molecules displaying ferromagnetic exchange: multiple-decker Ni12 and Ni16 complexes from the use of pyridine-2-amidoxime.
Authors of publication	Efthymiou, Constantinos G.; Cunha-Silva, Luís; Perlepes, Spyros P.; Brechin, Euan K.; Inglis, Ross; Evangelisti, Marco; Papatriantafyllopoulou, Constantina
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17409 - 17419
a	16.6742 ± 0.0009 Å
b	17.3665 ± 0.0017 Å
c	19.7073 ± 0.001 Å
α	106.175 ± 0.003°
β	113.293 ± 0.002°
γ	99.202 ± 0.004°
Cell volume	4792.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
188185 (current)	2016-11-08	cif/ Updating files of 7040746, 7040747 Original log message: Adding full bibliography for 7040746--7040747.cif.	7040747.cif
186815	2016-09-28	cif/ Adding structures of 7040746, 7040747 via cif-deposit CGI script.	7040747.cif