Crystallography Open Database

Information card for entry 7224673

Preview

Coordinates	7224673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Bi Br N2 S4
Calculated formula	C6 H12 Bi Br N2 S4
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	10.218 ± 0.0006 Å
b	16.3552 ± 0.0009 Å
c	8.2644 ± 0.0005 Å
α	90°
β	100.927 ± 0.006°
γ	90°
Cell volume	1356.08 ± 0.14 Å³
Cell temperature	100.05 ± 0.1 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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.	7224673.cif