Crystallography Open Database

Information card for entry 8000257

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Coordinates	8000257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O6
Calculated formula	C24 H20 N2 O6
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	19.3111 ± 0.0007 Å
b	7.5939 ± 0.0003 Å
c	13.4476 ± 0.0005 Å
α	90°
β	98.064 ± 0.001°
γ	90°
Cell volume	1952.54 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0716
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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