Crystallography Open Database

Information card for entry 7721186

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Coordinates	7721186.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	fac-[Re(CO)3Br(Phen5MeSal)Re(CO)3(MeOH)]
Chemical name	fac-{2-([1,10-Phenanthrolin-5-ylimino]methyl)phenolato-N,N'}-(methanol)(bromido)-hexacarbonyl-di-rhenium(I)
Formula	C27 H23.04 Br N3 O10.52 Re2
Calculated formula	C27 H20.036 Br N3 O9.018 Re2
Title of publication	Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.
Authors of publication	Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
a	7.8174 ± 0.0014 Å
b	10.9256 ± 0.0017 Å
c	18.312 ± 0.003 Å
α	76.475 ± 0.006°
β	84.564 ± 0.008°
γ	81.83 ± 0.007°
Cell volume	1502.1 ± 0.4 Å³
Cell temperature	109 ± 2 K
Ambient diffraction temperature	109 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306684 (current)	2026-06-30	cif/ Adding structures of 7721184, 7721185, 7721186, 7721187 via cif-deposit CGI script.	7721186.cif