Crystallography Open Database

Information card for entry 7224674

Preview

Coordinates	7224674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Bi2 I2 N4 S8
Calculated formula	C20 H40 Bi2 I2 N4 S8
Title of publication	Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells
Authors of publication	Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	35
Pages of publication	29026
a	9.4033 ± 0.0003 Å
b	11.2321 ± 0.0004 Å
c	17.6307 ± 0.0006 Å
α	93.566 ± 0.003°
β	98.144 ± 0.003°
γ	96.906 ± 0.003°
Cell volume	1824.02 ± 0.11 Å³
Cell temperature	100.05 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0295
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
178868 (current)	2016-03-22	cif/ Adding structures of 7224672, 7224673, 7224674, 7224675, 7224676, 7224677 via cif-deposit CGI script.	7224674.cif