Crystallography Open Database

Information card for entry 7112876

Preview

Coordinates	7112876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 Cu2 N8 O8 S8
Calculated formula	C36 H20 Cu2 N8 O8 S8
SMILES	c1cccc2n1=[O][Cu]13N2C(=O)C2=CSC(=C4SC(=CS4)C(=O)N4c5ccccn5=[O][Cu]54N(c4ccccn4=[O]5)C(=O)C4=CSC(=C5SC=C(C(=O)N1c1ccccn1=[O]3)S5)S4)S2
Title of publication	Binuclear Cu(ii) coordination complex involving Cis-tetrathiafulvalene-bis-amido-2-pyridine-N-oxide as bi-anionic ligand: a robust molecular precursor toward magnetic conducting materials.
Authors of publication	Pointillart, Fabrice; Cauchy, Thomas; Le Gal, Yann; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4947 - 4949
a	14.231 ± 0.003 Å
b	12.153 ± 0.003 Å
c	27.846 ± 0.007 Å
α	90°
β	104.3 ± 0.01°
γ	90°
Cell volume	4666.7 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1259
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112876.cif
112137	2014-04-29	cif/ Adding structures of 7112876 via cif-deposit CGI script.	7112876.cif