Crystallography Open Database

Information card for entry 7707811

Preview

Coordinates	7707811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cu N4 O8 S12
Calculated formula	C44 H38 Cu N4 O8 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	24.059 ± 0.0019 Å
b	9.0771 ± 0.0006 Å
c	25.3307 ± 0.0018 Å
α	90°
β	112.705 ± 0.004°
γ	90°
Cell volume	5103.2 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0986
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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