Crystallography Open Database

Information card for entry 4513480

Preview

Coordinates	4513480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H33 Bi Cl6 N3 O3
Calculated formula	C39 H33 Bi Cl6 N3 O3
Title of publication	High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.
Authors of publication	Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong
Journal of publication	ACS applied materials & interfaces
Year of publication	2015
Journal volume	7
Journal issue	26
Pages of publication	14493 - 14500
a	11.582 ± 0.01 Å
b	13.318 ± 0.012 Å
c	14.951 ± 0.013 Å
α	106.738 ± 0.01°
β	106.793 ± 0.01°
γ	99.103 ± 0.01°
Cell volume	2040 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513480.cif
152703	2015-08-03	cif/ Adding structures of 4513480 via cif-deposit CGI script.	4513480.cif