Crystallography Open Database

Information card for entry 7714872

Preview

Coordinates	7714872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H43 N P2
Calculated formula	C23 H43 N P2
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	15.9398 ± 0.0004 Å
b	6.2656 ± 0.0002 Å
c	25.0585 ± 0.0008 Å
α	90°
β	96.419 ± 0.003°
γ	90°
Cell volume	2486.96 ± 0.13 Å³
Cell temperature	160 ± 0.2 K
Ambient diffraction temperature	160 ± 0.2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7714872.cif
288618	2024-01-03	cif/ Adding structures of 7714872, 7714873, 7714874, 7714875, 7714876, 7714877 via cif-deposit CGI script.	7714872.cif