Crystallography Open Database

Information card for entry 8000464

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Structure parameters

Formula	C25 H22 Br2 N2 O5
Calculated formula	C25 H22 Br2 N2 O5
Title of publication	Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties.
Authors of publication	Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	9282 - 9288
a	6.8623 ± 0.0004 Å
b	12.6219 ± 0.001 Å
c	15.1424 ± 0.0012 Å
α	74.772 ± 0.007°
β	82.398 ± 0.005°
γ	76.727 ± 0.006°
Cell volume	1228.08 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.051
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	0.671
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000464.cif
258569	2020-10-23	cif/ Adding structures of 8000464 via cif-deposit CGI script.	8000464.cif