Crystallography Open Database

Information card for entry 7716619

Preview

Coordinates	7716619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Cl2 N4 O6 Re2
Calculated formula	C40 H34 Cl2 N4 O6 Re2
Title of publication	The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.
Authors of publication	Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13743 - 13755
a	13.8365 ± 0.0002 Å
b	16.5716 ± 0.0004 Å
c	17.2135 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3946.93 ± 0.13 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.0282
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294563 (current)	2024-09-06	cif/ Updating files of 7716611, 7716612, 7716613, 7716614, 7716615, 7716616, 7716617, 7716618, 7716619 Original log message: Adding full bibliography for 7716611--7716619.cif.	7716619.cif
293396	2024-07-13	cif/ Adding structures of 7716611, 7716612, 7716613, 7716614, 7716615, 7716616, 7716617, 7716618, 7716619 via cif-deposit CGI script.	7716619.cif