Crystallography Open Database

Information card for entry 4308758

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Coordinates	4308758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Br6 Mo3 N S15
Calculated formula	C26 H8 Br6 Mo3 N S15
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	12.787 ± 0.006 Å
b	13.653 ± 0.006 Å
c	17.543 ± 0.008 Å
α	68.398 ± 0.01°
β	69.911 ± 0.012°
γ	62.377 ± 0.01°
Cell volume	2467 ± 2 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	0.1986
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.2493
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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