Crystallography Open Database

Information card for entry 7707419

Preview

Coordinates	7707419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 Bi Br4 N2 O S2
Calculated formula	C22 H15 Bi Br4 N2 O S2
SMILES	[Bi]1(Br)(Br)(Br)[n]2c(sc3ccccc23)C(OC)(c2c(Br)cccc2)c2sc3ccccc3[n]12
Title of publication	A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.
Authors of publication	Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	7949 - 7954
a	11.1267 ± 0.0006 Å
b	14.9545 ± 0.0009 Å
c	15.4839 ± 0.0009 Å
α	90°
β	92.486 ± 0.001°
γ	90°
Cell volume	2574 ± 0.3 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	7
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	0.0267
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267199 (current)	2021-07-05	cif/ Updating files of 7707417, 7707418, 7707419, 7707420, 7707421, 7707422, 7707423 Original log message: Adding full bibliography for 7707417--7707423.cif.	7707419.cif
265325	2021-05-19	cif/ Adding structures of 7707417, 7707418, 7707419, 7707420, 7707421, 7707422, 7707423 via cif-deposit CGI script.	7707419.cif