Crystallography Open Database

Information card for entry 7215498

Preview

Coordinates	7215498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cl2 Cu2 N10 O15
Calculated formula	C38 H42 Cl2 Cu2 N10 O15
Title of publication	A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes
Authors of publication	Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	42
Pages of publication	9505
a	15.0633 ± 0.0003 Å
b	14.5216 ± 0.0003 Å
c	21.9097 ± 0.0005 Å
α	90°
β	95.005 ± 0.008°
γ	90°
Cell volume	4774.32 ± 0.18 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/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2247
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215498.cif
112359	2014-05-01	cif/ Adding structures of 7215498 via cif-deposit CGI script.	7215498.cif