Crystallography Open Database

Information card for entry 7154963

Preview

Coordinates	7154963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 Br4 Cl8 N2 Sb
Calculated formula	C37 H26 Br4 Cl8 N2 Sb
SMILES	Brc1ccc(N(c2ccc(cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c2ccc(Br)cc2)cc1.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].ClCCl
Title of publication	A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.
Authors of publication	Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	10
Pages of publication	2961 - 2968
a	15.37545 ± 0.00018 Å
b	14.15367 ± 0.00014 Å
c	19.476 ± 0.0002 Å
α	90°
β	91.4952 ± 0.001°
γ	90°
Cell volume	4236.91 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177913 (current)	2016-03-05	cif/ Updating files of 7154963, 7154964, 7154965 Original log message: Adding full bibliography for 7154963--7154965.cif.	7154963.cif
176223	2016-02-05	cif/ Adding structures of 7154963, 7154964, 7154965 via cif-deposit CGI script.	7154963.cif