Crystallography Open Database

Information card for entry 7702691

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Coordinates	7702691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H41 Cl3 P4 S4
Calculated formula	C55 H41 Cl3 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	9.68 ± 0.0009 Å
b	11.7691 ± 0.001 Å
c	12.6621 ± 0.0012 Å
α	72.829 ± 0.006°
β	69.653 ± 0.004°
γ	82.261 ± 0.005°
Cell volume	1291.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1109
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7702691.cif