Crystallography Open Database

Information card for entry 7246018

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Coordinates	7246018.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3
Formula	C33 H20 N2 O4 S6
Calculated formula	C33 H20 N2 O4 S6
Title of publication	A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity
Authors of publication	Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	4
Pages of publication	508 - 512
a	6.261 ± 0.0003 Å
b	19.6413 ± 0.0009 Å
c	32.8415 ± 0.0015 Å
α	90°
β	94.938 ± 0.001°
γ	90°
Cell volume	4023.7 ± 0.3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1548
Residual factor for significantly intense reflections	0.1219
Weighted residual factors for significantly intense reflections	0.3874
Weighted residual factors for all reflections included in the refinement	0.4128
Goodness-of-fit parameter for all reflections included in the refinement	1.65
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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