Crystallography Open Database

Information card for entry 7702692

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Coordinates	7702692.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dichlorine-Tetrakis(bisdiphenylphosphino)tetrathiafulvalene-gold(I)
Formula	C56 H42 Au4 Cl8 P4 S4
Calculated formula	C56 H38 Au4 Cl8 P4 S4
Title of publication	Tetrathiafulvalene-functionalized phosphine as a coordinating ligand. X-Ray structures of (PPh2)4TTF and [(AuCl)4{(PPh2)4TTF}]
Authors of publication	Cerrada, Elena; Diaz, Carmelo; Diaz, M. Cristina; Hursthouse, Michael B.; Laguna, Mariano; Light, Mark E.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	6
Pages of publication	1104
a	11.362 ± 0.002 Å
b	17.624 ± 0.004 Å
c	15.911 ± 0.003 Å
α	90°
β	104.99 ± 0.03°
γ	90°
Cell volume	3077.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
243955 (current)	2019-11-28	cif/ Adding structures of 7702691, 7702692 via cif-deposit CGI script.	7702692.cif