Crystallography Open Database

Information card for entry 4316231

Preview

Coordinates	4316231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Mn N2 O7 S2
Calculated formula	C16 H12 Mn N2 O7 S2
Title of publication	Tetrathiafulvalene-Tetracarboxylate: An Intriguing Building Block with Versatility in Coordination Structures and Redox Properties
Authors of publication	Yu-Rong Qin; Qin-Yu Zhu; Li-Bin Huo; Zheng Shi; Guo-Qing Bian; Jie Dai
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7372 - 7381
a	7.6041 ± 0.0005 Å
b	11.2211 ± 0.0008 Å
c	12.2046 ± 0.0005 Å
α	70.409 ± 0.007°
β	73.137 ± 0.008°
γ	80.35 ± 0.009°
Cell volume	936.04 ± 0.11 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	0.0835
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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