Crystallography Open Database

Information card for entry 7014788

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Coordinates	7014788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N3 O5 S6 Zn
Calculated formula	C22 H8 N3 O5 S6 Zn
Title of publication	Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).
Authors of publication	Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	9
Pages of publication	1977 - 1983
a	10.1856 ± 0.0009 Å
b	11.8627 ± 0.0009 Å
c	12.0826 ± 0.0012 Å
α	78.587 ± 0.009°
β	80.8 ± 0.009°
γ	73.103 ± 0.008°
Cell volume	1361.1 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0778
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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