Crystallography Open Database

Information card for entry 4334504

Preview

Coordinates	4334504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Br Co2 N2 O15
Calculated formula	C24 H36 Br Co2 N2 O15
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])Br)CO.O.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	11.67 ± 0.002 Å
b	13.369 ± 0.002 Å
c	19.766 ± 0.003 Å
α	90°
β	106.395 ± 0.004°
γ	90°
Cell volume	2958.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4334504.cif
100332	2014-02-04	cif/ Adding structures of 4334504 via cif-deposit CGI script.	4334504.cif