Crystallography Open Database

Information card for entry 8000254

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Coordinates	8000254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 N2 O8
Calculated formula	C24 H26 Cl2 N2 O8
Title of publication	Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.
Authors of publication	Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin
Journal of publication	The journal of physical chemistry letters
Year of publication	2017
Journal volume	8
Journal issue	21
Pages of publication	5450 - 5455
a	7.6272 ± 0.0003 Å
b	26.0909 ± 0.001 Å
c	6.9724 ± 0.0003 Å
α	90°
β	113.451 ± 0.001°
γ	90°
Cell volume	1272.9 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0677
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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