Crystallography Open Database

Information card for entry 7715711

Preview

Coordinates	7715711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N2 O5 Re S
Calculated formula	C18 H17 N2 O5 Re S
Title of publication	Neutral Rhenium(I) Tricarbonyl Complexes with Sulfur-Donor Ligands: Anti-Proliferative Activity and Cellular Localization
Authors of publication	Levina, Aviva; Wardhani, Kartika; Stephens, Liam; Werrett, Melissa Vivienne; Caporale, Chiara; Dallerba, Elena; Blair, Victoria L.; Massi, Massimiliano; Lay, Peter A.; Andrews, Philip Craig
Journal of publication	Dalton Transactions
Year of publication	2024
a	6.547 ± 0.0004 Å
b	18.4883 ± 0.0009 Å
c	15.5201 ± 0.0008 Å
α	90°
β	97.05 ± 0.005°
γ	90°
Cell volume	1864.39 ± 0.18 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0874
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
291205 (current)	2024-04-16	cif/ Adding structures of 7715710, 7715711, 7715712, 7715713 via cif-deposit CGI script.	7715711.cif