Crystallography Open Database

Information card for entry 4308757

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Coordinates	4308757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Br7 Cl Mo3 S31
Calculated formula	C31 H24 Br7 Cl Mo3 S31
Title of publication	Synthesis, Crystal Structure, and Properties of Multicomponent Bis(ethylenedithio)tetrathiafulvalene Charge-Transfer Salts of the [Mo3S7Br6]2- Cluster
Authors of publication	Rosa Llusar; Sonia Triguero; Santiago Uriel; Cristian Vicent; Eugenio Coronado; Carlos J. Gomez-Garcia
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1563 - 1570
a	11.907 ± 0.006 Å
b	12.742 ± 0.006 Å
c	22.905 ± 0.012 Å
α	90.053 ± 0.015°
β	79.063 ± 0.014°
γ	75.802 ± 0.015°
Cell volume	3304 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2444
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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