Crystallography Open Database

Information card for entry 4332849

Preview

Coordinates	4332849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H89.5 Co8 N8 O30.25
Calculated formula	C42 H89.12 Co8 N8 O30.25
Title of publication	Mixed-Valent Cobalt Spin Clusters: a Hexanuclear Complex and a One-Dimensional Coordination Polymer Comprised of Alternating Hepta- and Mononuclear Fragments
Authors of publication	Alley, Kerwyn G.; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Güdel, Hans U.; Moubaraki, Boujemaa; Murray, Keith S.; Fernandez-Alonso, Felix; Abrahams, Brendan F.; Boskovic, Colette
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	22
Pages of publication	8950 - 8957
a	11.5243 ± 0.0014 Å
b	37.727 ± 0.005 Å
c	15.682 ± 0.002 Å
α	90°
β	105.489 ± 0.003°
γ	90°
Cell volume	6570.6 ± 1.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0821
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4332849.cif
98595	2014-01-30	cif/ Adding structures of 4332848, 4332849 via cif-deposit CGI script.	4332849.cif