Crystallography Open Database

Information card for entry 7125869

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Coordinates	7125869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H27 Cl9 Fe N6 S18
Calculated formula	C41 H27 Cl9 Fe N6 S18
Title of publication	Interdigitated conducting tetrathiafulvalene-based coordination networks.
Authors of publication	Bechu, Damien; Xie, Lilia S.; Le Breton, Nolwenn; Choua, Sylvie; Dincă, Mircea; Hosseini, Mir Wais; Baudron, Stéphane A
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	16
Pages of publication	2407 - 2410
a	36.701 ± 0.004 Å
b	9.6026 ± 0.0009 Å
c	20.217 ± 0.0019 Å
α	90°
β	121.187 ± 0.002°
γ	90°
Cell volume	6095.3 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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