Crystallography Open Database

Information card for entry 7224777

Preview

Coordinates	7224777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 N2 O8 S12
Calculated formula	C53 H18.92 N2 O8 S12
Title of publication	Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures
Authors of publication	Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	16
Pages of publication	2894
a	9.6659 ± 0.0006 Å
b	13.4126 ± 0.0007 Å
c	25.3171 ± 0.0017 Å
α	76.598 ± 0.005°
β	79.897 ± 0.005°
γ	86.413 ± 0.005°
Cell volume	3142.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
182653 (current)	2016-05-06	cif/ Updating files of 7224775, 7224776, 7224777 Original log message: Adding full bibliography for 7224775--7224777.cif.	7224777.cif
180673	2016-04-01	cif/ Adding structures of 7224775, 7224776, 7224777 via cif-deposit CGI script.	7224777.cif