Crystallography Open Database

Information card for entry 4313314

Preview

Coordinates	4313314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H141 Co2 N9 O6
Calculated formula	C108 H132 Co2 N9 O6
Title of publication	Bonding Coordination Requirements Induce Antiferromagnetic Coupling between m-Phenylene Bridged o-Iminosemiquinonato Diradicals
Authors of publication	Andrea Dei; Dante Gatteschi; Claudio Sangregorio; Lorenzo Sorace; Maria G. F. Vaz
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1701 - 1706
a	21.053 ± 0.002 Å
b	17.524 ± 0.002 Å
c	28.583 ± 0.003 Å
α	90°
β	90.2 ± 0.005°
γ	90°
Cell volume	10545.1 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179191 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/33.	4313314.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313314.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313314.cif
6383	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313314 via cif-deposit CGI script.	4313314.cif