Crystallography Open Database

Information card for entry 7025391

Preview

Coordinates	7025391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H136 Co6 N14 O69 Y4
Calculated formula	C52 H106 Co6 N14 O69 Y4
Title of publication	Novel mixed-valent CoII2CoIII4LnIII4 aggregates with ligands derived from tris-(hydroxymethyl)aminomethane (Tris)
Authors of publication	Xiang, Hua; Lan, Yanhua; Li, Huan-Yong; Jiang, Long; Lu, Tong-Bu; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4737
a	12.7727 ± 0.0014 Å
b	13.6246 ± 0.0015 Å
c	16.6712 ± 0.0018 Å
α	72.353 ± 0.002°
β	70.913 ± 0.002°
γ	72.982 ± 0.002°
Cell volume	2551.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0805
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179959 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53.	7025391.cif
93015	2014-01-12	cif/ Adding structures of 7025391, 7025392, 7025393 via cif-deposit CGI script.	7025391.cif