Crystallography Open Database

Information card for entry 7721184

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Coordinates	7721184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	fac-[Re(CO)3(Phen5MeSalH)(Cl)]
Chemical name	fac-Tricarbonyl-{2-([1,10-phenanthrolin-5-ylimino]methyl)phenol-N,N'}-(chlorido)-rhenium(I)
Formula	C32 H24 Cl N3 O4 Re
Calculated formula	C32 H24 Cl N3 O4 Re
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	10.9122 ± 0.0015 Å
b	10.982 ± 0.0013 Å
c	14.3688 ± 0.0019 Å
α	110.547 ± 0.005°
β	91.907 ± 0.005°
γ	116.622 ± 0.004°
Cell volume	1403.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0549
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7721184.cif