Crystallography Open Database

Information card for entry 4332848

Preview

Coordinates	4332848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H217 Co18 N12 O77.5
Calculated formula	C94 H171 Co18 N12 O77.5
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	21.414 ± 0.003 Å
b	21.414 ± 0.003 Å
c	30.512 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	12117 ± 4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1473
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2004
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
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.	4332848.cif
98595	2014-01-30	cif/ Adding structures of 4332848, 4332849 via cif-deposit CGI script.	4332848.cif