Crystallography Open Database

Information card for entry 7707812

Preview

Coordinates	7707812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Cu N4 O10 S12
Calculated formula	C46 H46 Cu N4 O10 S12
Title of publication	Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance
Authors of publication	Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Dalton Transactions
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11091 - 11098
a	9.1976 ± 0.0003 Å
b	16.9404 ± 0.0006 Å
c	17.7175 ± 0.0006 Å
α	90°
β	95.852 ± 0.001°
γ	90°
Cell volume	2746.2 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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