Crystallography Open Database

Information card for entry 7716618

Preview

Coordinates	7716618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Cl2 N4 O8 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	12.0797 ± 0.0003 Å
b	14.3295 ± 0.0003 Å
c	14.5093 ± 0.0003 Å
α	116.153 ± 0.002°
β	95.311 ± 0.002°
γ	91.952 ± 0.002°
Cell volume	2236.81 ± 0.1 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1903
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7716618.cif
293396	2024-07-13	cif/ Adding structures of 7716611, 7716612, 7716613, 7716614, 7716615, 7716616, 7716617, 7716618, 7716619 via cif-deposit CGI script.	7716618.cif