Crystallography Open Database

Information card for entry 4333144

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Coordinates	4333144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H86 Fe2 O31 S36 Se36
Calculated formula	C102 H72 Fe2 O31 S36 Se36
Title of publication	Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions
Authors of publication	Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10815 - 10824
a	12.6993 ± 0.0003 Å
b	18.7564 ± 0.0004 Å
c	18.7675 ± 0.0004 Å
α	75.649 ± 0.005°
β	107.178 ± 0.005°
γ	79.527 ± 0.005°
Cell volume	3977.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1425
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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