Crystallography Open Database

Information card for entry 7243239

Preview

Coordinates	7243239.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	fac-[Re(CO)3(5Me-Sal-Trypt)(PPh3)]
Chemical name	fac-Tricarbonyl-{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-triphenylphosphine-rhenium(I)
Formula	C39 H32 N2 O4 P Re
Calculated formula	C39 H32 N2 O4 P Re
Title of publication	Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex
Authors of publication	Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	39
Pages of publication	24443 - 24455
a	10.506 ± 0.0007 Å
b	26.642 ± 0.002 Å
c	12.3068 ± 0.0008 Å
α	90°
β	106.455 ± 0.002°
γ	90°
Cell volume	3303.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
267614 (current)	2021-07-17	cif/ Adding structures of 7243238, 7243239 via cif-deposit CGI script.	7243239.cif