Crystallography Open Database

Information card for entry 4119724

4119723 << 4119724 >> 4119725

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Coordinates	4119724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H73 Co2 K2 N9 O7
Calculated formula	C39 H66 Co2 K2 N9 O7
Title of publication	Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes
Authors of publication	Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7010 - 7018
a	18.951 ± 0.01 Å
b	9.858 ± 0.004 Å
c	28.893 ± 0.008 Å
α	90°
β	102.82 ± 0.03°
γ	90°
Cell volume	5263 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
178968 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/97.	4119724.cif
103900	2014-03-07	cif/ Adding structures of 4119724 via cif-deposit CGI script.	4119724.cif