Crystallography Open Database

Information card for entry 7010916

Preview

Coordinates	7010916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H22 Mo N8 O2 S18
Calculated formula	C35 H22 Mo N8 O2 S18
Title of publication	An unusual phase transition in the crystal structure and physical properties of (TTF)9[Mo(CN)8]2·4H2O, where TTF = tetrathiafulvalene
Authors of publication	Rombaut, Guillaume; Turner, Scott S.; Pévelen, Delphine Le; Mathonière, Corine; Day, Peter; Prout, Keith
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	22
Pages of publication	3244
a	9.9094 ± 0.0002 Å
b	10.6781 ± 0.0002 Å
c	23.6086 ± 0.0007 Å
α	75.791 ± 0.0008°
β	88.601 ± 0.0009°
γ	78.525 ± 0.0008°
Cell volume	2372.5 ± 0.1 Å³
Cell temperature	270 K
Ambient diffraction temperature	270 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 significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	0.9798
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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