Crystallography Open Database

Information card for entry 7707420

Preview

Coordinates	7707420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 Bi Cl N4 O2 S4
Calculated formula	C44 H30 Bi Cl N4 O2 S4
SMILES	[Bi]12(Cl)([O](C(c3c1cccc3)(c1sc3ccccc3n1)c1sc3ccccc3n1)C)[n]1c(sc3ccccc13)C(OC)(c1c2cccc1)c1sc2ccccc2n1
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	12.3209 ± 0.0003 Å
b	13.317 ± 0.0003 Å
c	14.6867 ± 0.0003 Å
α	110.088 ± 0.002°
β	104.112 ± 0.002°
γ	107.625 ± 0.002°
Cell volume	1987.42 ± 0.1 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
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.	7707420.cif
265325	2021-05-19	cif/ Adding structures of 7707417, 7707418, 7707419, 7707420, 7707421, 7707422, 7707423 via cif-deposit CGI script.	7707420.cif