Crystallography Open Database

Information card for entry 4334505

Preview

Coordinates	4334505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Co2 N3 O17
Calculated formula	C24 H32 Co2 N3 O17
SMILES	COc1cccc2c1O[Co]1345[N](=C2)C2(C[O]3[Co]3([OH]C2)([O]5CC(C[OH]3)(CO)[N]1=Cc1cccc(c1O4)OC)([OH2])ON(=O)=O)CO.O.O.O
Title of publication	Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere
Authors of publication	Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4554 - 4561
a	12.513 ± 0.002 Å
b	13.02 ± 0.002 Å
c	19.069 ± 0.003 Å
α	90°
β	105.583 ± 0.003°
γ	90°
Cell volume	2992.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334505.cif
100333	2014-02-04	cif/ Adding structures of 4334505 via cif-deposit CGI script.	4334505.cif