Crystallography Open Database

Information card for entry 4332118

Preview

Coordinates	4332118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H156 N8 Ni7 O33
Calculated formula	C83 H136 N8 Ni7 O33
Title of publication	Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides
Authors of publication	Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	14
Pages of publication	5338 - 5350
a	27.594 ± 0.008 Å
b	16.176 ± 0.005 Å
c	29.832 ± 0.009 Å
α	90°
β	114.979 ± 0.006°
γ	90°
Cell volume	12070 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1765
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1725
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
179424 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/21.	4332118.cif
98099	2014-01-29	cif/ Adding structures of 4332111, 4332112, 4332113, 4332114, 4332115, 4332116, 4332117, 4332118, 4332119, 4332120, 4332121, 4332122, 4332123, 4332124 via cif-deposit CGI script.	4332118.cif