Crystallography Open Database

Information card for entry 7714876

Preview

Coordinates	7714876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H43 Cl0.4 F3.6 N O3 P2.6 Tc
Calculated formula	C26 H43 Cl0.4 F3.6 N O3 P2.6 Tc
Title of publication	Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.
Authors of publication	Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1434 - 1438
a	8.3859 ± 0.0001 Å
b	12.8905 ± 0.0001 Å
c	15.6784 ± 0.0001 Å
α	106.006 ± 0.001°
β	103.681 ± 0.001°
γ	92.659 ± 0.001°
Cell volume	1571.54 ± 0.03 Å³
Cell temperature	159.99 ± 0.1 K
Ambient diffraction temperature	159.99 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289501 (current)	2024-02-04	cif/ Updating files of 7714872, 7714873, 7714874, 7714875, 7714876, 7714877 Original log message: Adding full bibliography for 7714872--7714877.cif.	7714876.cif
288618	2024-01-03	cif/ Adding structures of 7714872, 7714873, 7714874, 7714875, 7714876, 7714877 via cif-deposit CGI script.	7714876.cif